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

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-yl-ethanone Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-2-(3-pyridyl)ethanone CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-2-(3-pyridinyl)ethanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone Traditional Name: 1-[3-(4-piperonylpiperazino)piperidino]-2-(3-pyridyl)ethanone Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CN=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CN=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H30N4O3/c29-24(14-19-3-1-7-25-15-19)28-8-2-4-21(17-28)27-11-9-26(10-12-27)16-20-5-6-22-23(13-20)31-18-30-22/h1,3,5-7,13,15,21H,2,4,8-12,14,16-18H2