3-(azepan-1-yl)-1-(4-methylphenyl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(4-methylphenyl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(p-tolyl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(4-methylphenyl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(4-methylphenyl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(p-tolyl)propan-1-one Formula: C16H23NO MolecularWeight: 245.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

InChI

InChI=1S/C16H23NO/c1-14-6-8-15(9-7-14)16(18)10-13-17-11-4-2-3-5-12-17/h6-9H,2-5,10-13H2,1H3