2-[(4-tert-butylphenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(4-tert-butylphenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(4-tert-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(4-tert-butylanilino)-N-(phenylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(4-tert-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(4-tert-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C23H23F3N4O MolecularWeight: 428.45013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23F3N4O/c1-22(2,3)16-9-11-17(12-10-16)29-21-28-14-18(19(30-21)23(24,25)26)20(31)27-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,27,31)(H,28,29,30)