1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]butan-1-one Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]butan-1-one CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-(4-piperonylpiperazine-1-carbonyl)piperidino]butan-1-one Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O4/c1-2-3-21(26)24-8-6-18(7-9-24)22(27)25-12-10-23(11-13-25)15-17-4-5-19-20(14-17)29-16-28-19/h4-5,14,18H,2-3,6-13,15-16H2,1H3