methyl 4-[[4-(3-bromophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-bromophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-27-21(26)17-8-6-16(7-9-17)15-23-10-3-11-24(13-12-23)20(25)18-4-2-5-19(22)14-18/h2,4-9,14H,3,10-13,15H2,1H3