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

Systemtic Name: 1-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone Openeye Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone CAS Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone IUPAC Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone Traditional Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(2-methylphenoxy)ethanone Formula: C19H25F3N2O3 MolecularWeight: 386.40861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2C

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2C

InChI

InChI=1S/C19H25F3N2O3/c1-3-4-5-6-10-15-12-18(26,19(20,21)22)24(23-15)17(25)13-27-16-11-8-7-9-14(16)2/h7-9,11,26H,3-6,10,12-13H2,1-2H3/t18-/m0/s1