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

Systemtic Name: 1-[5-(4-methylphenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[5-hydroxy-5-(p-tolyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[5-hydroxy-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[5-hydroxy-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[5-hydroxy-5-(p-tolyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(=NN2C(=O)CCCC3=CC=CC=C3)C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC(=NN2C(=O)CCCC3=CC=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C21H21F3N2O2/c1-15-10-12-17(13-11-15)20(28)14-18(21(22,23)24)25-26(20)19(27)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,28H,5,8-9,14H2,1H3