4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-butyl-5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C18H23F3N2O MolecularWeight: 340.38323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C18H23F3N2O/c1-5-6-10-14-15(17(2,3)4)22-23(16(14)24)13-9-7-8-12(11-13)18(19,20)21/h7-9,11,22H,5-6,10H2,1-4H3