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

Systemtic Name: [(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Openeye Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(m-tolyl)methanone CAS Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone IUPAC Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Traditional Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(m-tolyl)methanone Formula: C16H19F3N2O2 MolecularWeight: 328.32947

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O2/c1-3-4-8-13-10-15(23,16(17,18)19)21(20-13)14(22)12-7-5-6-11(2)9-12/h5-7,9,23H,3-4,8,10H2,1-2H3/t15-/m0/s1