2-[3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]propylamino]-N-methyl-quinoline-4-carboxamide

Systemtic Name: 2-[3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]propylamino]-N-methyl-quinoline-4-carboxamide Openeye Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]-N-methyl-quinoline-4-carboxamide CAS Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]-N-methyl-4-quinolinecarboxamide IUPAC Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]-N-methylquinoline-4-carboxamide Traditional Name: 2-[3-[[4-chloro-3-(trifluoromethyl)benzyl]amino]propylamino]-N-methyl-cinchoninamide Formula: C22H22ClF3N4O MolecularWeight: 450.88449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=NC2=CC=CC=C21)NCCCNCC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=CC(=NC2=CC=CC=C21)NCCCNCC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C22H22ClF3N4O/c1-27-21(31)16-12-20(30-19-6-3-2-5-15(16)19)29-10-4-9-28-13-14-7-8-18(23)17(11-14)22(24,25)26/h2-3,5-8,11-12,28H,4,9-10,13H2,1H3,(H,27,31)(H,29,30)