N-[(2-chloranyl-4-cyano-phenyl)methyl]-6-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-chloranyl-4-cyano-phenyl)methyl]-6-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: N-[(2-chloro-4-cyano-phenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-chloro-4-cyanophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: N-(2-chloro-4-cyano-benzyl)-6-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C21H13ClF3N3O2 MolecularWeight: 431.79503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=C2)C(=O)NCC3=C(C=C(C=C3)C#N)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=C2)C(=O)NCC3=C(C=C(C=C3)C#N)Cl)OC(F)(F)F

InChI

InChI=1S/C21H13ClF3N3O2/c22-18-9-13(10-26)1-2-15(18)11-28-20(29)16-5-8-19(27-12-16)14-3-6-17(7-4-14)30-21(23,24)25/h1-9,12H,11H2,(H,28,29)