3-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-{[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]amino}cyclobut-3-ene-1,2-dione

CAS: 1256245-86-9

Formula: C31H26F6N4O2

SMILES: FC(F)(F)C1=CC(=CC(NC2=C(N[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)C3=CC=NC4=CC=CC=C34)C(=O)C2=O)=C1)C(F)(F)F

IUPAC: 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-{[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]amino}cyclobut-3-ene-1,2-dione

InChI: InChI=1S/C31H26F6N4O2/c1-2-16-15-41-10-8-17(16)11-24(41)25(22-7-9-38-23-6-4-3-5-21(22)23)40-27-26(28(42)29(27)43)39-20-13-18(30(32,33)34)12-19(14-20)31(35,36)37/h2-7,9,12-14,16-17,24-25,39-40H,1,8,10-11,15H2/t16-,17+,24+,25-/m0/s1

Composition: C (62.00%), H (4.36%), F (18.98%), N (9.33%), O (5.33%)

Molar Mass: 600.565

Atom Count: 69

Heavy Atom Count: 43