N,N'-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]heptane-1,7-diamine

Systemtic Name: N,N'-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]heptane-1,7-diamine Openeye Name: N,N'-bis[2,8-bis(trifluoromethyl)-4-quinolyl]heptane-1,7-diamine CAS Name: N,N'-bis[2,8-bis(trifluoromethyl)-4-quinolinyl]heptane-1,7-diamine IUPAC Name: N,N'-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]heptane-1,7-diamine Traditional Name: [2,8-bis(trifluoromethyl)-4-quinolyl]-[7-[[2,8-bis(trifluoromethyl)-4-quinolyl]amino]heptyl]amine Formula: C29H24F12N4 MolecularWeight: 656.508498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2NCCCCCCCNC3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2NCCCCCCCNC3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H24F12N4/c30-26(31,32)18-10-6-8-16-20(14-22(28(36,37)38)44-24(16)18)42-12-4-2-1-3-5-13-43-21-15-23(29(39,40)41)45-25-17(21)9-7-11-19(25)27(33,34)35/h6-11,14-15H,1-5,12-13H2,(H,42,44)(H,43,45)