N4-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine

Systemtic Name: N4-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[2-tert-butyl-6-methoxy-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amine Formula: C26H32F3N3O2 MolecularWeight: 475.54639

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=CC(=C(C2=C1N=C(C=C2)C(C)(C)C)OC3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

CC(CCCN)NC1=CC(=C(C2=C1N=C(C=C2)C(C)(C)C)OC3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C26H32F3N3O2/c1-16(8-7-13-30)31-20-15-21(33-5)24(19-11-12-22(25(2,3)4)32-23(19)20)34-18-10-6-9-17(14-18)26(27,28)29/h6,9-12,14-16,31H,7-8,13,30H2,1-5H3