methyl 4-[[4-(3-chlorophenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-chlorophenyl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-chlorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-chlorophenyl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chlorobenzoyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-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=C3)Cl

Isomeric SMILES

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

InChI

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