2-[(3-acetamidophenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-acetamidophenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-acetamidoanilino)-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-acetamidoanilino)-N-(phenylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-acetamidoanilino)-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-acetamidoanilino)-N-benzyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C21H18F3N5O2 MolecularWeight: 429.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18F3N5O2/c1-13(30)27-15-8-5-9-16(10-15)28-20-26-12-17(18(29-20)21(22,23)24)19(31)25-11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,25,31)(H,27,30)(H,26,28,29)