3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(2-chloro-7-methyl-3-quinolyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(2-chloro-7-methyl-3-quinolinyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(2-chloro-7-methylquinolin-3-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(2-chloro-7-methyl-3-quinolyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C21H15ClF3N3O MolecularWeight: 417.81151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CC(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CC(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H15ClF3N3O/c1-12-5-6-13-8-14(19(22)28-18(13)7-12)9-15(11-26)20(29)27-17-4-2-3-16(10-17)21(23,24)25/h2-8,10,15H,9H2,1H3,(H,27,29)