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

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-cyclopropyl-ethanone Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-2-cyclopropyl-ethanone CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-2-cyclopropylethanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-cyclopropylethanone Traditional Name: 2-cyclopropyl-1-[3-(4-piperonylpiperazino)piperidino]ethanone Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2CC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2CC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H31N3O3/c26-22(13-17-3-4-17)25-7-1-2-19(15-25)24-10-8-23(9-11-24)14-18-5-6-20-21(12-18)28-16-27-20/h5-6,12,17,19H,1-4,7-11,13-16H2