ethyl 8-chloranyl-1-methyl-4-oxidanylidene-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-methyl-4-oxidanylidene-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-chloro-1-methyl-4-oxo-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-chloro-1-methyl-4-oxo-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-methyl-4-oxo-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-chloro-4-keto-1-methyl-6-phenyl-5,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=O)NC(C3=C(N2C(=N1)C)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C(=O)NC(C3=C(N2C(=N1)C)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O3/c1-3-28-21(27)18-19-20(26)24-17(13-7-5-4-6-8-13)15-11-14(22)9-10-16(15)25(19)12(2)23-18/h4-11,17H,3H2,1-2H3,(H,24,26)