ethyl 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate Openeye Name: ethyl 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(4-piperidyloxy)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-oxo-1-[[4-(4-piperidinyloxy)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-2-oxo-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylate Traditional Name: 4-(4-chlorobenzoyl)-2-keto-1-[4-(4-piperidyloxy)benzyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid ethyl ester Formula: C31H32ClN3O5 MolecularWeight: 562.05588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CN(CC(=O)N2CC3=CC=C(C=C3)OC4CCNCC4)C(=O)C5=CC=C(C=C5)Cl)C=C1

Isomeric SMILES

CCOC(=O)C1=CC2=C(CN(CC(=O)N2CC3=CC=C(C=C3)OC4CCNCC4)C(=O)C5=CC=C(C=C5)Cl)C=C1

InChI

InChI=1S/C31H32ClN3O5/c1-2-39-31(38)23-5-6-24-19-34(30(37)22-7-9-25(32)10-8-22)20-29(36)35(28(24)17-23)18-21-3-11-26(12-4-21)40-27-13-15-33-16-14-27/h3-12,17,27,33H,2,13-16,18-20H2,1H3