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

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC(=NC=N2)N3CCOCC3)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC(=NC=N2)N3CCOCC3)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O5/c1-16(32-17-2-3-18-19(12-17)31-15-30-18)22(28)27-6-4-25(5-7-27)20-13-21(24-14-23-20)26-8-10-29-11-9-26/h2-3,12-14,16H,4-11,15H2,1H3