2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O4/c1-16(31-17-4-5-18-19(12-17)30-15-29-18)22(28)27-10-8-26(9-11-27)21-13-20(23-14-24-21)25-6-2-3-7-25/h4-5,12-14,16H,2-3,6-11,15H2,1H3