(E)-1,1,1-tris(fluoranyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one

Systemtic Name: (E)-1,1,1-tris(fluoranyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one Openeye Name: (E)-1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one CAS Name: (E)-1,1,1-trifluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-buten-2-one IUPAC Name: (E)-1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one Traditional Name: (E)-1,1,1-trifluoro-4-[4-(2-pyrimidyl)piperazino]but-3-en-2-one Formula: C12H13F3N4O MolecularWeight: 286.25303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=CC(=O)C(F)(F)F)C2=NC=CC=N2

Isomeric SMILES

C1CN(CCN1/C=C/C(=O)C(F)(F)F)C2=NC=CC=N2

InChI

InChI=1S/C12H13F3N4O/c13-12(14,15)10(20)2-5-18-6-8-19(9-7-18)11-16-3-1-4-17-11/h1-5H,6-9H2/b5-2+