(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)OC

InChI

InChI=1S/C24H31ClN4O3/c1-6-32-23-19(25)14-18(15-20(23)31-5)7-8-22(30)29-11-9-28(10-12-29)21-13-17(4)26-24(27-21)16(2)3/h7-8,13-16H,6,9-12H2,1-5H3/b8-7+