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

Systemtic Name: 2-[(3-cyanophenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-cyanoanilino)-N-(phenylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C20H14F3N5O MolecularWeight: 397.35327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N5O/c21-20(22,23)17-16(18(29)25-11-13-5-2-1-3-6-13)12-26-19(28-17)27-15-8-4-7-14(9-15)10-24/h1-9,12H,11H2,(H,25,29)(H,26,27,28)