ethyl 4-oxidanylidene-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylate Openeye Name: ethyl 4-oxo-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylate CAS Name: 4-oxo-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylate Traditional Name: 4-keto-5-phenyl-3,5,6,11-tetrahydro-1H-pyrido[4,3-c][1,5]benzodiazepine-2-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

CCOC(=O)N1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H21N3O3/c1-2-27-21(26)24-12-17-19(18(25)13-24)20(14-8-4-3-5-9-14)23-16-11-7-6-10-15(16)22-17/h3-11,20,22-23H,2,12-13H2,1H3