3-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide

Systemtic Name: 3-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Openeye Name: 3-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide CAS Name: 3-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-1,4-dihydropyrazole-5-carboxamide Traditional Name: 5-tert-butyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-2-pyrazoline-3-carboxamide Formula: C17H19F3N4O MolecularWeight: 352.35417

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC1(CC(=NN1)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O/c1-15(2,3)13-8-16(4,24-23-13)14(25)22-11-6-5-10(9-21)12(7-11)17(18,19)20/h5-7,24H,8H2,1-4H3,(H,22,25)