2-(5-methyl-2-propan-2-yl-phenoxy)-1-[(5S)-5-oxidanyl-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-[(5S)-5-oxidanyl-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[(5S)-5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[(5S)-5-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2[C@](CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O

InChI

InChI=1S/C21H22F3N3O3/c1-13(2)16-5-4-14(3)10-18(16)30-12-19(28)27-20(29,21(22,23)24)11-17(26-27)15-6-8-25-9-7-15/h4-10,13,29H,11-12H2,1-3H3/t20-/m0/s1