ethyl 9-methyl-6-oxidanylidene-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate

Systemtic Name: ethyl 9-methyl-6-oxidanylidene-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate Openeye Name: ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate CAS Name: 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate Traditional Name: 6-keto-9-methyl-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylic acid ethyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=NC3=CC=CC=C3NC2=O)C=C1C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(C2C(=NC3=CC=CC=C3NC2=O)C=C1C)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-3-28-23(27)19-14(2)13-18-21(20(19)15-9-5-4-6-10-15)22(26)25-17-12-8-7-11-16(17)24-18/h4-13,19-21H,3H2,1-2H3,(H,25,26)