ethyl 4-[(4-cyanophenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-cyanophenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-cyanoanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-cyanoanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanoanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-cyanoanilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H14F3N3O2 MolecularWeight: 385.33927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O2/c1-2-28-19(27)16-11-25-17-9-13(20(21,22)23)5-8-15(17)18(16)26-14-6-3-12(10-24)4-7-14/h3-9,11H,2H2,1H3,(H,25,26)