2-(piperidin-1-ylmethyl)-6-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol

Systemtic Name: 2-(piperidin-1-ylmethyl)-6-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2-(1-piperidylmethyl)-6-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2-(1-piperidinylmethyl)-6-[[2-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2-(piperidin-1-ylmethyl)-6-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2-(piperidinomethyl)-6-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C22H22F3N3O MolecularWeight: 401.42479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C(=CC=C2)NC3=CC(=NC4=CC=CC=C43)C(F)(F)F)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C(=CC=C2)NC3=CC(=NC4=CC=CC=C43)C(F)(F)F)O

InChI

InChI=1S/C22H22F3N3O/c23-22(24,25)20-13-19(16-8-2-3-9-17(16)27-20)26-18-10-6-7-15(21(18)29)14-28-11-4-1-5-12-28/h2-3,6-10,13,29H,1,4-5,11-12,14H2,(H,26,27)