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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H21F3N2O3/c1-29-17-12-10-16(11-13-17)18-14-20(28,21(22,23)24)26(25-18)19(27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,28H,5,8-9,14H2,1H3