2,6-bis(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol

Systemtic Name: 2,6-bis(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2,6-bis(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2,6-bis(1-azepanylmethyl)-4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2,6-bis(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2,6-bis(azepan-1-ylmethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C30H37F3N4O MolecularWeight: 526.63619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC(=C2O)CN3CCCCCC3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC(=C2O)CN3CCCCCC3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

InChI

InChI=1S/C30H37F3N4O/c31-30(32,33)24-9-10-26-27(11-12-34-28(26)19-24)35-25-17-22(20-36-13-5-1-2-6-14-36)29(38)23(18-25)21-37-15-7-3-4-8-16-37/h9-12,17-19,38H,1-8,13-16,20-21H2,(H,34,35)