(3-methyl-2-oxidanyl-phenyl)-[(5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (3-methyl-2-oxidanyl-phenyl)-[(5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (2-hydroxy-3-methyl-phenyl)-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (2-hydroxy-3-methylphenyl)-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (2-hydroxy-3-methylphenyl)-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: [(5S)-3-amyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone Formula: C17H21F3N2O3 MolecularWeight: 358.35545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C(=CC=C2)C)O

Isomeric SMILES

CCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=C(C(=CC=C2)C)O

InChI

InChI=1S/C17H21F3N2O3/c1-3-4-5-8-12-10-16(25,17(18,19)20)22(21-12)15(24)13-9-6-7-11(2)14(13)23/h6-7,9,23,25H,3-5,8,10H2,1-2H3/t16-/m0/s1