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

Systemtic Name: 1-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-phenyl-ethanone Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23F3N2O2/c1-2-3-4-8-11-15-13-17(25,18(19,20)21)23(22-15)16(24)12-14-9-6-5-7-10-14/h5-7,9-10,25H,2-4,8,11-13H2,1H3/t17-/m0/s1