(4-methoxyphenyl)-[5-(3-methylbutyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(N(N1)C(=O)C2=CC=C(C=C2)OC)(C(F)(F)F)O

Isomeric SMILES

CC(C)CCC1=CC(N(N1)C(=O)C2=CC=C(C=C2)OC)(C(F)(F)F)O

InChI

InChI=1S/C17H21F3N2O3/c1-11(2)4-7-13-10-16(24,17(18,19)20)22(21-13)15(23)12-5-8-14(25-3)9-6-12/h5-6,8-11,21,24H,4,7H2,1-3H3