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

Systemtic Name: 2-[(3-cyanophenyl)amino]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-cyanoanilino)-N-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-cyanoanilino)-N-(4-oxanylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-cyanoanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-cyanoanilino)-N-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C19H18F3N5O2 MolecularWeight: 405.37373

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18F3N5O2/c20-19(21,22)16-15(17(28)24-10-12-4-6-29-7-5-12)11-25-18(27-16)26-14-3-1-2-13(8-14)9-23/h1-3,8,11-12H,4-7,10H2,(H,24,28)(H,25,26,27)