(E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-asaryl-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

InChI

InChI=1S/C20H24N4O4/c1-26-16-14-18(28-3)17(27-2)13-15(16)5-6-19(25)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4-8,13-14H,9-12H2,1-3H3/b6-5+