1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxy-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H19F3N2O3/c1-2-3-7-12-10-15(23,16(17,18)19)21(20-12)14(22)11-24-13-8-5-4-6-9-13/h4-6,8-9,23H,2-3,7,10-11H2,1H3/t15-/m0/s1