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

Systemtic Name: methyl 4-[[4-(4-bromophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(4-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-27-21(26)18-5-3-16(4-6-18)15-23-11-2-12-24(14-13-23)20(25)17-7-9-19(22)10-8-17/h3-10H,2,11-15H2,1H3