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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[ethyl(piperonyl)amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-2-24(16-18-6-7-19-20(15-18)29-17-28-19)10-8-22(27)26-13-11-25(12-14-26)21-5-3-4-9-23-21/h3-7,9,15H,2,8,10-14,16-17H2,1H3