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

Systemtic Name: 1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Formula: C18H23F3N2O3 MolecularWeight: 372.38203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N2O3/c1-4-5-6-14-10-17(25,18(19,20)21)23(22-14)16(24)11-26-15-8-7-12(2)13(3)9-15/h7-9,25H,4-6,10-11H2,1-3H3/t17-/m0/s1