N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[(E)-(4-tert-butylphenyl)methyleneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[(E)-(4-tert-butylbenzylidene)amino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H21F3N4O MolecularWeight: 414.42355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N4O/c1-21(2,3)16-11-9-15(10-12-16)13-26-28-20(30)18-14-27-29(19(18)22(23,24)25)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,28,30)/b26-13+