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

Systemtic Name: 2-tert-butyl-4-(piperidin-1-ylmethyl)-6-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Openeye Name: 2-tert-butyl-4-(1-piperidylmethyl)-6-[[7-(trifluoromethyl)-4-quinolyl]amino]phenol CAS Name: 2-tert-butyl-4-(1-piperidinylmethyl)-6-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenol IUPAC Name: 2-tert-butyl-4-(piperidin-1-ylmethyl)-6-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol Traditional Name: 2-tert-butyl-4-(piperidinomethyl)-6-[[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)CN2CCCCC2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CN2CCCCC2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)O

InChI

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