2-(3-butoxyphenyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]cinchoninamide Formula: C27H22ClF3N2O2 MolecularWeight: 498.92399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C27H22ClF3N2O2/c1-2-3-13-35-19-8-6-7-17(14-19)25-16-21(20-9-4-5-10-24(20)33-25)26(34)32-18-11-12-23(28)22(15-18)27(29,30)31/h4-12,14-16H,2-3,13H2,1H3,(H,32,34)