1-[4-(4-azanylbutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

Systemtic Name: 1-[4-(4-azanylbutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone Openeye Name: 1-[4-(4-aminobutyl)piperazin-1-yl]-2-(o-tolyl)ethanone CAS Name: 1-[4-(4-aminobutyl)-1-piperazinyl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[4-(4-aminobutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 1-[4-(4-aminobutyl)piperazino]-2-(o-tolyl)ethanone Formula: C17H27N3O MolecularWeight: 289.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCCN

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCCN

InChI

InChI=1S/C17H27N3O/c1-15-6-2-3-7-16(15)14-17(21)20-12-10-19(11-13-20)9-5-4-8-18/h2-3,6-7H,4-5,8-14,18H2,1H3