1-[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[(5R)-3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C17H21F3N2O3 MolecularWeight: 358.35545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)CC2=CC=C(C=C2)OC)(C(F)(F)F)O

Isomeric SMILES

CCCCC1=C[C@](N(N1)C(=O)CC2=CC=C(C=C2)OC)(C(F)(F)F)O

InChI

InChI=1S/C17H21F3N2O3/c1-3-4-5-13-11-16(24,17(18,19)20)22(21-13)15(23)10-12-6-8-14(25-2)9-7-12/h6-9,11,21,24H,3-5,10H2,1-2H3/t16-/m1/s1