1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-3-(p-tolyl)propan-1-one CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[3-(4-piperonylpiperazino)piperidino]-3-(p-tolyl)propan-1-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H35N3O3/c1-21-4-6-22(7-5-21)9-11-27(31)30-12-2-3-24(19-30)29-15-13-28(14-16-29)18-23-8-10-25-26(17-23)33-20-32-25/h4-8,10,17,24H,2-3,9,11-16,18-20H2,1H3