(E)-3-(3,4-diethoxyphenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)OCC

InChI

InChI=1S/C25H34N4O3/c1-6-31-21-10-8-20(17-22(21)32-7-2)9-11-24(30)29-14-12-28(13-15-29)23-16-19(5)26-25(27-23)18(3)4/h8-11,16-18H,6-7,12-15H2,1-5H3/b11-9+