2-(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol

Systemtic Name: 2-(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2-(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2-(1-azepanylmethyl)-4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2-(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2-(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C23H24F3N3O MolecularWeight: 415.45137

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)O

InChI

InChI=1S/C23H24F3N3O/c24-23(25,26)17-5-7-19-20(9-10-27-21(19)14-17)28-18-6-8-22(30)16(13-18)15-29-11-3-1-2-4-12-29/h5-10,13-14,30H,1-4,11-12,15H2,(H,27,28)