(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)OC

InChI

InChI=1S/C20H23ClN4O3/c1-3-28-17-14-15(13-16(21)19(17)27-2)5-6-18(26)24-9-11-25(12-10-24)20-22-7-4-8-23-20/h4-8,13-14H,3,9-12H2,1-2H3/b6-5+