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

Systemtic Name: [(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Openeye Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(m-tolyl)methanone CAS Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone IUPAC Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Traditional Name: [(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(m-tolyl)methanone Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H23F3N2O2/c1-3-4-5-6-10-15-12-17(25,18(19,20)21)23(22-15)16(24)14-9-7-8-13(2)11-14/h7-9,11,25H,3-6,10,12H2,1-2H3/t17-/m0/s1