2-[(3-fluorophenyl)amino]-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)amino]-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-fluoroanilino)-N-(4-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-fluoroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-fluoroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-fluoroanilino)-N-(4-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C18H13F4N5O MolecularWeight: 391.322333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F4N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)