1-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(5S)-5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[(5S)-5-hydroxy-3-isobutyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H23F3N2O2/c1-13(2)11-15-12-17(25,18(19,20)21)23(22-15)16(24)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,25H,6,9-12H2,1-2H3/t17-/m0/s1