[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-2-oxidanyl-phenyl)methanone Openeye Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone CAS Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone IUPAC Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone Traditional Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone Formula: C16H19F3N2O3 MolecularWeight: 344.32887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O3/c1-3-4-7-11-9-15(24,16(17,18)19)21(20-11)14(23)12-8-5-6-10(2)13(12)22/h5-6,8,22,24H,3-4,7,9H2,1-2H3/t15-/m0/s1