4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-ethyl-7-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-ethyl-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N-ethyl-7-(trifluoromethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-ethyl-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-ethyl-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-ethyl-7-(trifluoromethyl)quinoline-3-carboxamide Formula: C21H19ClF3N3O2 MolecularWeight: 437.84267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN=C2C=C(C=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C(F)(F)F

Isomeric SMILES

CCNC(=O)C1=CN=C2C=C(C=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3O2/c1-3-26-20(29)15-11-27-17-9-13(21(23,24)25)5-6-14(17)19(15)28-10-12-4-7-18(30-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,29)(H,27,28)