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

Systemtic Name: [(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methoxyphenyl)methanone Openeye Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methoxyphenyl)methanone CAS Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methoxyphenyl)methanone IUPAC Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-methoxyphenyl)methanone Traditional Name: [(5R)-3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(4-methoxyphenyl)methanone Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O3/c1-3-4-5-12-10-15(23,16(17,18)19)21(20-12)14(22)11-6-8-13(24-2)9-7-11/h6-10,20,23H,3-5H2,1-2H3/t15-/m1/s1