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Diazanaphthalenes

Organic heterocyclic compounds that consist of a naphthalene double ring in which two of the carbon atoms have been replaced with nitrogen atoms.

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1

N-Desmethyl Azelastine, TRC

CAS: 47491-38-3 Molecular Formula: C21 H22 Cl N3 O Molecular Weight (g/mol): 367.87 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine IUPAC Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one SMILES: Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1

CAS 47491-38-3
Molecular Weight (g/mol) 367.87
SMILES Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1
Synonym 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine
IUPAC Name 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Molecular Formula C21 H22 Cl N3 O
3

Azelastine N-Oxide (Mixture of Diastereomers), TRC

CAS: 640279-88-5 Molecular Formula: C22 H24 Cl N3 O2 Molecular Weight (g/mol): 397.9 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one SMILES: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

CAS 640279-88-5
Molecular Weight (g/mol) 397.9
SMILES C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Synonym 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide
IUPAC Name 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one
Molecular Formula C22 H24 Cl N3 O2
4

N-De[2-(methylsulfonyl)ethyl] Lapatinib, TRC

CAS: 697299-82-4 Molecular Formula: C26H20ClFN4O2 Molecular Weight (g/mol): 474.91 Synonym: 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine SMILES: Cc1nc2c3c(ccc2nc1)n(C)c(N)n3

CAS 697299-82-4
Molecular Weight (g/mol) 474.91
SMILES Cc1nc2c3c(ccc2nc1)n(C)c(N)n3
Synonym 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine
Molecular Formula C26H20ClFN4O2
5

Carbadox (Technical Grade), TRC

CAS: 6804-07-5 Molecular Formula: C11 H10 N4 O4 Molecular Weight (g/mol): 262.22 Synonym: Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide IUPAC Name: methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate SMILES: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]

CAS 6804-07-5
Molecular Weight (g/mol) 262.22
SMILES COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]
Synonym Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide
IUPAC Name methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate
Molecular Formula C11 H10 N4 O4
6

Cyadox, TRC

CAS: 65884-46-0 Molecular Formula: C12 H9 N5 O3 Molecular Weight (g/mol): 271.23 Synonym: Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide IUPAC Name: 2-cyano-N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]acetamide SMILES: [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12

CAS 65884-46-0
Molecular Weight (g/mol) 271.23
SMILES [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12
Synonym Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide
IUPAC Name 2-cyano-N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]acetamide
Molecular Formula C12 H9 N5 O3
7

Carbadox, TRC

CAS: 6804-07-5 Molecular Formula: C11 H10 N4 O4 Molecular Weight (g/mol): 262.22 Synonym: Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide IUPAC Name: methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate SMILES: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]

CAS 6804-07-5
Molecular Weight (g/mol) 262.22
SMILES COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]
Synonym Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide
IUPAC Name methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate
Molecular Formula C11 H10 N4 O4
8

Alfuzosin, TRC

CAS: 81403-80-7 Molecular Formula: C19H28ClN5O4 Molecular Weight (g/mol): 425.91 Synonym: 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-,N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide,Alfuzosin,N-[3-[N-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-N-(methyl)amino]propyl]tetrahydrofuran-2-carboxamide,SL 77499 IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide SMILES: COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3

CAS 81403-80-7
Molecular Weight (g/mol) 425.91
SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
Synonym 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-,N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide,Alfuzosin,N-[3-[N-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-N-(methyl)amino]propyl]tetrahydrofuran-2-carboxamide,SL 77499
IUPAC Name N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
Molecular Formula C19H28ClN5O4
9

Olaquindox, TRC

CAS: 23696-28-8 Molecular Formula: C12 H13 N3 O4 Molecular Weight (g/mol): 263.25 Synonym: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox IUPAC Name: N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide SMILES: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]

CAS 23696-28-8
Molecular Weight (g/mol) 263.25
SMILES Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
Synonym 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox
IUPAC Name N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide
Molecular Formula C12 H13 N3 O4
10

N2-Methyl Alfuzosin, TRC

CAS: 72104-34-8 Molecular Formula: C19 H27 N5 O4 . Cl H Molecular Weight (g/mol): 425.91 Synonym: Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride SMILES: Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC

CAS 72104-34-8
Molecular Weight (g/mol) 425.91
SMILES Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC
Synonym Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride
IUPAC Name N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride
Molecular Formula C19 H27 N5 O4 . Cl H
11

Dioxidine, TRC

CAS: 17311-31-8 Molecular Formula: C10 H10 N2 O4 Molecular Weight (g/mol): 222.197 Synonym: 2,3-Bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline 1,4-Di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline Di-N-oxide,Dioxydine,Farmoxidin,Mastoxidine,Metrosept; IUPAC Name: [3-(hydroxymethyl)-1,4-dioxo-quinoxalin-2-yl]methanol SMILES: OCc1c(CO)n(=O)c2ccccc2n1=O

CAS 17311-31-8
Molecular Weight (g/mol) 222.197
SMILES OCc1c(CO)n(=O)c2ccccc2n1=O
Synonym 2,3-Bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline 1,4-Di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline Di-N-oxide,Dioxydine,Farmoxidin,Mastoxidine,Metrosept;
IUPAC Name [3-(hydroxymethyl)-1,4-dioxo-quinoxalin-2-yl]methanol
Molecular Formula C10 H10 N2 O4
12

O-Desmorpholinopropyl-O-methyl-gefitinib, TRC

CAS: 153437-78-6 Molecular Formula: C16H13ClFN3O2 Molecular Weight (g/mol): 333.74 Synonym: 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC

CAS 153437-78-6
Molecular Weight (g/mol) 333.74
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Synonym 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
IUPAC Name N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
Molecular Formula C16H13ClFN3O2
13

Ophthazin Sulfate, TRC

CAS: 7327-87-9 Molecular Formula: C8 H10 N6 . H2 O4 S Molecular Weight (g/mol): 288.28 Synonym: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin IUPAC Name: (Z)-[(4Z)-4-hydrazinylidene-2,3-dihydrophthalazin-1-ylidene]hydrazine;sulfuric acid SMILES: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O

CAS 7327-87-9
Molecular Weight (g/mol) 288.28
SMILES N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
Synonym Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin
IUPAC Name (Z)-[(4Z)-4-hydrazinylidene-2,3-dihydrophthalazin-1-ylidene]hydrazine;sulfuric acid
Molecular Formula C8 H10 N6 . H2 O4 S
14

Phenazine Ethosulfate, TRC

CAS: 10510-77-7 Molecular Formula: C14H13N2 .C2H5O4S Molecular Weight (g/mol): 334.4 Synonym: N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863 IUPAC Name: (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one SMILES: Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1

CAS 10510-77-7
Molecular Weight (g/mol) 334.4
SMILES Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1
Synonym N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863
IUPAC Name (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one
Molecular Formula C14H13N2 .C2H5O4S
15

Desbromo Brimonidine, TRC

CAS: 91147-43-2 Molecular Formula: C11 H11 N5 Molecular Weight (g/mol): 213.24 Synonym: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511 IUPAC Name: N-quinoxalin-6-ylimidazolidin-2-imine SMILES: C1CNC(=Nc2ccc3nccnc3c2)N1

CAS 91147-43-2
Molecular Weight (g/mol) 213.24
SMILES C1CNC(=Nc2ccc3nccnc3c2)N1
Synonym N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511
IUPAC Name N-quinoxalin-6-ylimidazolidin-2-imine
Molecular Formula C11 H11 N5