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

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(2-furyl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(2-furanyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone Traditional Name: 2-furyl-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CO2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CO2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N3O4/c26-22(20-4-2-12-27-20)25-7-1-3-18(15-25)24-10-8-23(9-11-24)14-17-5-6-19-21(13-17)29-16-28-19/h2,4-6,12-13,18H,1,3,7-11,14-16H2