N-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C22H13BrF3N3O MolecularWeight: 472.25733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C22H13BrF3N3O/c23-18-6-5-14(11-17(18)22(24,25)26)28-21(30)16-12-20(13-7-9-27-10-8-13)29-19-4-2-1-3-15(16)19/h1-12H,(H,28,30)