5-[3-ethanoyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[3-ethanoyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[3-acetyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2-fluoro-benzonitrile CAS Name: 5-[3-acetyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2-fluorobenzonitrile IUPAC Name: 5-[3-acetyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-acetyl-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-fluoro-benzonitrile Formula: C13H9F4N3O MolecularWeight: 299.223673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(=NN1C2=CC(=C(C=C2)F)C#N)C(F)(F)F

Isomeric SMILES

CC(=O)C1CC(=NN1C2=CC(=C(C=C2)F)C#N)C(F)(F)F

InChI

InChI=1S/C13H9F4N3O/c1-7(21)11-5-12(13(15,16)17)19-20(11)9-2-3-10(14)8(4-9)6-18/h2-4,11H,5H2,1H3