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

Systemtic Name: N4-[2-tert-butyl-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[2-tert-butyl-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[2-tert-butyl-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[2-tert-butyl-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[2-tert-butyl-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]amine Formula: C27H34F3N3O2 MolecularWeight: 489.57297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C27H34F3N3O2/c1-16-13-22(26(3,4)5)33-24-20(32-17(2)9-8-12-31)15-21(34-6)25(23(16)24)35-19-11-7-10-18(14-19)27(28,29)30/h7,10-11,13-15,17,32H,8-9,12,31H2,1-6H3