2-(azepan-1-yl)-1-(3-bromophenyl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(3-bromophenyl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(3-bromophenyl)ethanone CAS Name: 2-(1-azepanyl)-1-(3-bromophenyl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(3-bromophenyl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(3-bromophenyl)ethanone Formula: C14H18BrNO MolecularWeight: 296.20282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrNO/c15-13-7-5-6-12(10-13)14(17)11-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2