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

Systemtic Name: 1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C17H21F3N2O3 MolecularWeight: 358.35545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21F3N2O3/c1-3-4-5-13-11-16(24,17(18,19)20)22(21-13)15(23)10-12-6-8-14(25-2)9-7-12/h6-9,24H,3-5,10-11H2,1-2H3/t16-/m0/s1