3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[cyclopentyl(piperonyl)amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CCC(=O)N2CCN(CC2)C3=CC=CC=N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N(CCC(=O)N2CCN(CC2)C3=CC=CC=N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H32N4O3/c30-25(28-15-13-27(14-16-28)24-7-3-4-11-26-24)10-12-29(21-5-1-2-6-21)18-20-8-9-22-23(17-20)32-19-31-22/h3-4,7-9,11,17,21H,1-2,5-6,10,12-16,18-19H2