(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-chloro-6-fluoro-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chloro-6-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C17H16ClFN4O MolecularWeight: 346.786543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H16ClFN4O/c18-14-3-1-4-15(19)13(14)5-6-16(24)22-9-11-23(12-10-22)17-20-7-2-8-21-17/h1-8H,9-12H2/b6-5+