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

Systemtic Name: N4-[5-[3,5-bis(trifluoromethyl)phenoxy]-6-methoxy-quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[5-[3,5-bis(trifluoromethyl)phenoxy]-6-methoxy-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[5-[3,5-bis(trifluoromethyl)phenoxy]-6-methoxy-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[5-[3,5-bis(trifluoromethyl)phenoxy]-6-methoxyquinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[5-[3,5-bis(trifluoromethyl)phenoxy]-6-methoxy-8-quinolyl]amine Formula: C23H23F6N3O2 MolecularWeight: 487.438039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F6N3O2/c1-13(5-3-7-30)32-18-12-19(33-2)21(17-6-4-8-31-20(17)18)34-16-10-14(22(24,25)26)9-15(11-16)23(27,28)29/h4,6,8-13,32H,3,5,7,30H2,1-2H3