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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[methyl(piperonyl)amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-23(15-17-5-6-18-19(14-17)28-16-27-18)9-7-21(26)25-12-10-24(11-13-25)20-4-2-3-8-22-20/h2-6,8,14H,7,9-13,15-16H2,1H3