2-tert-butyl-6-(piperidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol

Systemtic Name: 2-tert-butyl-6-(piperidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2-tert-butyl-6-(1-piperidylmethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2-tert-butyl-6-(1-piperidinylmethyl)-4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2-tert-butyl-6-(piperidin-1-ylmethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2-tert-butyl-6-(piperidinomethyl)-4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol Formula: C26H30F3N3O MolecularWeight: 457.53111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CN4CCCCC4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CN4CCCCC4)O

InChI

InChI=1S/C26H30F3N3O/c1-25(2,3)21-15-19(13-17(24(21)33)16-32-11-5-4-6-12-32)31-22-9-10-30-23-14-18(26(27,28)29)7-8-20(22)23/h7-10,13-15,33H,4-6,11-12,16H2,1-3H3,(H,30,31)