3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C3C(=CC=C2)OCO3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC(CN(C1)CC2=C3C(=CC=C2)OCO3)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H32N4O3/c30-24(29-15-13-28(14-16-29)23-8-1-2-11-26-23)10-9-20-5-4-12-27(17-20)18-21-6-3-7-22-25(21)32-19-31-22/h1-3,6-8,11,20H,4-5,9-10,12-19H2