ethyl 8-azanyl-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 8-azanyl-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate Openeye Name: ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate CAS Name: 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate Traditional Name: 8-amino-4-[[3-(trifluoromethyl)benzyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C20H18F3N3O2 MolecularWeight: 389.37103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC3=CC(=CC=C3)C(F)(F)F)C=CC=C2N

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC3=CC(=CC=C3)C(F)(F)F)C=CC=C2N

InChI

InChI=1S/C20H18F3N3O2/c1-2-28-19(27)15-11-26-18-14(7-4-8-16(18)24)17(15)25-10-12-5-3-6-13(9-12)20(21,22)23/h3-9,11H,2,10,24H2,1H3,(H,25,26)