1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H21F3N4O/c1-20(2,3)17-13-18(28(27-17)16-10-5-4-6-11-16)26-19(29)25-15-9-7-8-14(12-15)21(22,23)24/h4-13H,1-3H3,(H2,25,26,29)