N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Openeye Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide CAS Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide Traditional Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Formula: C21H16F3N3O3 MolecularWeight: 415.36525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC(=C(C=C3)OCC(F)(F)F)C#N

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC(=C(C=C3)OCC(F)(F)F)C#N

InChI

InChI=1S/C21H16F3N3O3/c1-12-17(9-13-8-16(29-2)4-5-18(13)26-12)20(28)27-15-3-6-19(14(7-15)10-25)30-11-21(22,23)24/h3-9H,11H2,1-2H3,(H,27,28)