1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-3-(1-methylpyrazol-4-yl)propan-1-one CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Traditional Name: 3-(1-methylpyrazol-4-yl)-1-[3-(4-piperonylpiperazino)piperidino]propan-1-one Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H33N5O3/c1-26-15-20(14-25-26)5-7-24(30)29-8-2-3-21(17-29)28-11-9-27(10-12-28)16-19-4-6-22-23(13-19)32-18-31-22/h4,6,13-15,21H,2-3,5,7-12,16-18H2,1H3