4-[(4-ethanoylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-ethanoylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-acetylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-acetylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-acetylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-acetylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c1-7(19)9-4-2-8(3-5-9)6-10-11(13(14,15)16)17-18-12(10)20/h2-5H,6H2,1H3,(H2,17,18,20)