1-(azepan-1-yl)-2-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(4-benzylpiperazino)propan-1-one Formula: C20H31N3O MolecularWeight: 329.47964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c1-18(20(24)23-11-7-2-3-8-12-23)22-15-13-21(14-16-22)17-19-9-5-4-6-10-19/h4-6,9-10,18H,2-3,7-8,11-17H2,1H3