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

Systemtic Name: methyl 4-[[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(2-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O3/c1-27-21(26)17-9-7-16(8-10-17)15-23-11-4-12-24(14-13-23)20(25)18-5-2-3-6-19(18)22/h2-3,5-10H,4,11-15H2,1H3