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

Systemtic Name: 2-[(3-cyanophenyl)amino]-N-methyl-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(3-cyanoanilino)-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-cyanoanilino)-N-methyl-N-(phenylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-cyanoanilino)-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(3-cyanoanilino)-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H16F3N5O/c1-29(13-14-6-3-2-4-7-14)19(30)17-12-26-20(28-18(17)21(22,23)24)27-16-9-5-8-15(10-16)11-25/h2-10,12H,13H2,1H3,(H,26,27,28)