2-[(3-chlorophenyl)amino]-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)amino]-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-chloroanilino)-N-(4-piperidylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-chloroanilino)-N-(4-piperidinylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-chloroanilino)-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-chloroanilino)-N-(4-piperidylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C18H19ClF3N5O MolecularWeight: 413.82457

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CNCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClF3N5O/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/h1-3,8,10-11,23H,4-7,9H2,(H,24,28)(H,25,26,27)