1-[5-(4-ethylphenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one

Systemtic Name: 1-[5-(4-ethylphenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one Openeye Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one CAS Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-octanone IUPAC Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one Traditional Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]octan-1-one Formula: C20H27F3N2O2 MolecularWeight: 384.43579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(CC(=N1)C(F)(F)F)(C2=CC=C(C=C2)CC)O

Isomeric SMILES

CCCCCCCC(=O)N1C(CC(=N1)C(F)(F)F)(C2=CC=C(C=C2)CC)O

InChI

InChI=1S/C20H27F3N2O2/c1-3-5-6-7-8-9-18(26)25-19(27,14-17(24-25)20(21,22)23)16-12-10-15(4-2)11-13-16/h10-13,27H,3-9,14H2,1-2H3