(4-tert-butylphenyl)-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H23F3N2O2/c1-5-6-14-11-17(25,18(19,20)21)23(22-14)15(24)12-7-9-13(10-8-12)16(2,3)4/h7-10,25H,5-6,11H2,1-4H3