2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[cyclopentyl(piperonyl)amino]-1-[4-(m-tolyl)piperazino]ethanone Formula: C26H33N3O3 MolecularWeight: 435.55852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C26H33N3O3/c1-20-5-4-8-23(15-20)27-11-13-28(14-12-27)26(30)18-29(22-6-2-3-7-22)17-21-9-10-24-25(16-21)32-19-31-24/h4-5,8-10,15-16,22H,2-3,6-7,11-14,17-19H2,1H3