(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c29-23(7-5-18-4-6-19-20(14-18)31-17-30-19)28-12-10-27(11-13-28)22-15-21(24-16-25-22)26-8-2-1-3-9-26/h4-7,14-16H,1-3,8-13,17H2/b7-5+