2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O4/c28-22(14-29-17-4-5-18-19(12-17)31-16-30-18)27-10-8-26(9-11-27)21-13-20(23-15-24-21)25-6-2-1-3-7-25/h4-5,12-13,15H,1-3,6-11,14,16H2