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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C)(C(F)(F)F)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2[C@](CC(=N2)C)(C(F)(F)F)O

InChI

InChI=1S/C16H19F3N2O3/c1-3-4-9-24-13-7-5-12(6-8-13)14(22)21-15(23,16(17,18)19)10-11(2)20-21/h5-8,23H,3-4,9-10H2,1-2H3/t15-/m0/s1