2-[(3-chloranyl-4-cyano-phenyl)amino]-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-cyano-phenyl)amino]-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-chloro-4-cyano-anilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-chloro-4-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-chloro-4-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-chloro-4-cyano-anilino)-N-(4-fluorobenzyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C20H12ClF4N5O MolecularWeight: 449.788793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=C(C=C3)C#N)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=C(C=C3)C#N)Cl)F

InChI

InChI=1S/C20H12ClF4N5O/c21-16-7-14(6-3-12(16)8-26)29-19-28-10-15(17(30-19)20(23,24)25)18(31)27-9-11-1-4-13(22)5-2-11/h1-7,10H,9H2,(H,27,31)(H,28,29,30)