2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol

Systemtic Name: 2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2-(diethylaminomethyl)-4-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C21H22F3N3O MolecularWeight: 389.41409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=NC3=CC=CC=C32)C(F)(F)F)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=NC3=CC=CC=C32)C(F)(F)F)O

InChI

InChI=1S/C21H22F3N3O/c1-3-27(4-2)13-14-11-15(9-10-19(14)28)25-18-12-20(21(22,23)24)26-17-8-6-5-7-16(17)18/h5-12,28H,3-4,13H2,1-2H3,(H,25,26)