ethyl 8-chloranyl-6-oxidanylidene-5-(phenylmethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-6-oxidanylidene-5-(phenylmethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-benzyl-8-chloro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-chloro-6-oxo-5-(phenylmethyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-8-chloro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-benzyl-8-chloro-6-keto-4H-imidazo[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=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O3/c1-2-28-21(27)19-18-12-24(11-14-6-4-3-5-7-14)20(26)16-10-15(22)8-9-17(16)25(18)13-23-19/h3-10,13H,2,11-12H2,1H3