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

Systemtic Name: 1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-phenyl-ethanone Formula: C16H19F3N2O2 MolecularWeight: 328.32947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O2/c1-2-3-9-13-11-15(23,16(17,18)19)21(20-13)14(22)10-12-7-5-4-6-8-12/h4-8,23H,2-3,9-11H2,1H3/t15-/m0/s1