[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone

Systemtic Name: [(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone Openeye Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone CAS Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone IUPAC Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone Traditional Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C15H17F3N2O2 MolecularWeight: 314.30289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17F3N2O2/c1-2-3-9-12-10-14(22,15(16,17)18)20(19-12)13(21)11-7-5-4-6-8-11/h4-8,22H,2-3,9-10H2,1H3/t14-/m0/s1