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

Systemtic Name: (E)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-fluoro-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-fluorophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-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=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN4O/c18-14-12-13(2-4-15(14)19)3-5-16(24)22-8-10-23(11-9-22)17-20-6-1-7-21-17/h1-7,12H,8-11H2/b5-3+