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

Systemtic Name: [(5S)-5-oxidanyl-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone Openeye Name: [(5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone CAS Name: [(5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone IUPAC Name: [(5S)-5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone Traditional Name: [(5S)-5-(4-amylphenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3)C(F)(F)F)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)[C@]2(CC(=NN2C(=O)C3=CC=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C22H23F3N2O2/c1-2-3-5-8-16-11-13-18(14-12-16)21(29)15-19(22(23,24)25)26-27(21)20(28)17-9-6-4-7-10-17/h4,6-7,9-14,29H,2-3,5,8,15H2,1H3/t21-/m0/s1