[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(o-tolyl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(2-methylphenyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone Traditional Name: o-tolyl-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O3/c1-19-5-2-3-7-22(19)25(29)28-10-4-6-21(17-28)27-13-11-26(12-14-27)16-20-8-9-23-24(15-20)31-18-30-23/h2-3,5,7-9,15,21H,4,6,10-14,16-18H2,1H3