methyl 4-[[4-(2-chlorophenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-chlorophenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-chlorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(2-chlorophenyl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-chlorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-chlorobenzoyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O4/c1-28-21(27)16-8-6-15(7-9-16)14-24-13-12-23(11-10-19(24)25)20(26)17-4-2-3-5-18(17)22/h2-9H,10-14H2,1H3