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

Systemtic Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2,6-bis(1-pyrrolidinylmethyl)-4-[[2-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2,6-bis(pyrrolidinomethyl)-4-[[2-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C26H29F3N4O MolecularWeight: 470.52987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=CC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=CC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C26H29F3N4O/c27-26(28,29)24-15-23(21-7-1-2-8-22(21)31-24)30-20-13-18(16-32-9-3-4-10-32)25(34)19(14-20)17-33-11-5-6-12-33/h1-2,7-8,13-15,34H,3-6,9-12,16-17H2,(H,30,31)