N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(4-tert-butylphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H19ClF3N3O MolecularWeight: 421.84327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3O/c1-20(2,3)13-4-8-15(9-5-13)27-19(29)17-12-26-28(18(17)21(23,24)25)16-10-6-14(22)7-11-16/h4-12H,1-3H3,(H,27,29)