methyl 5-(4-chlorophenyl)carbonyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)carbonyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Openeye Name: methyl 5-(4-chlorobenzoyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorobenzoyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-(4-chlorobenzoyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCN1C(CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H25ClN2O3/c1-3-28-21-11-7-8-12-22(21)29(25(30)19-13-15-20(27)16-14-19)23(17-24(28)26(31)32-2)18-9-5-4-6-10-18/h4-16,23-24H,3,17H2,1-2H3