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

Systemtic Name: 2-[(3-bromophenyl)amino]-N-[(4-cyanophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-bromoanilino)-N-[(4-cyanophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-bromoanilino)-N-[(4-cyanophenyl)methyl]-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-bromoanilino)-N-[(4-cyanophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-bromoanilino)-N-(4-cyanobenzyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C20H13BrF3N5O MolecularWeight: 476.24933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrF3N5O/c21-14-2-1-3-15(8-14)28-19-27-11-16(17(29-19)20(22,23)24)18(30)26-10-13-6-4-12(9-25)5-7-13/h1-8,11H,10H2,(H,26,30)(H,27,28,29)