methyl 3-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate CAS Name: 3-[[4-[(4-chlorophenyl)-oxomethyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(4-chlorobenzoyl)-2-keto-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c1-32-25(31)19-7-4-5-17(13-19)14-28-22-8-3-2-6-20(22)15-27(16-23(28)29)24(30)18-9-11-21(26)12-10-18/h2-13H,14-16H2,1H3