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

Systemtic Name: 1-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC(=C(C=C2)OC)OC)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)[C@]1(CC(=NN1C(=O)CC2=CC(=C(C=C2)OC)OC)C(F)(F)F)O

InChI

InChI=1S/C18H23F3N2O4/c1-16(2,3)17(25)10-14(18(19,20)21)22-23(17)15(24)9-11-6-7-12(26-4)13(8-11)27-5/h6-8,25H,9-10H2,1-5H3/t17-/m0/s1