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

Systemtic Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-2-yl]amino]phenol Openeye Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[7-(trifluoromethyl)-2-quinolyl]amino]phenol CAS Name: 2,6-bis(1-pyrrolidinylmethyl)-4-[[7-(trifluoromethyl)-2-quinolinyl]amino]phenol IUPAC Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-2-yl]amino]phenol Traditional Name: 2,6-bis(pyrrolidinomethyl)-4-[[7-(trifluoromethyl)-2-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=NC5=C(C=CC(=C5)C(F)(F)F)C=C4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=NC5=C(C=CC(=C5)C(F)(F)F)C=C4

InChI

InChI=1S/C26H29F3N4O/c27-26(28,29)21-7-5-18-6-8-24(31-23(18)15-21)30-22-13-19(16-32-9-1-2-10-32)25(34)20(14-22)17-33-11-3-4-12-33/h5-8,13-15,34H,1-4,9-12,16-17H2,(H,30,31)