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

Systemtic Name: (3-methylphenyl)-[(5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(m-tolyl)methanone CAS Name: [(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone IUPAC Name: [(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Traditional Name: [(5S)-3-amyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(m-tolyl)methanone Formula: C17H21F3N2O2 MolecularWeight: 342.35605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H21F3N2O2/c1-3-4-5-9-14-11-16(24,17(18,19)20)22(21-14)15(23)13-8-6-7-12(2)10-13/h6-8,10,24H,3-5,9,11H2,1-2H3/t16-/m0/s1