1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]pentane-1,4-dione

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]pentane-1,4-dione Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]pentane-1,4-dione CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]pentane-1,4-dione IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]pentane-1,4-dione Traditional Name: 1-[3-(4-piperonylpiperazino)piperidino]pentane-1,4-dione Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O4/c1-17(26)4-7-22(27)25-8-2-3-19(15-25)24-11-9-23(10-12-24)14-18-5-6-20-21(13-18)29-16-28-20/h5-6,13,19H,2-4,7-12,14-16H2,1H3