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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[[(R)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]amino]-4-[[(R)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl]amino]cyclobut-3-ene-1,2-quinone Formula: C32H28F6N4O2 MolecularWeight: 614.580739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NC5=C(C(=O)C5=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC5=C(C(=O)C5=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H28F6N4O2/c1-2-18-16-42-10-8-19(18)13-25(42)26(23-7-9-39-24-6-4-3-5-22(23)24)41-28-27(29(43)30(28)44)40-15-17-11-20(31(33,34)35)14-21(12-17)32(36,37)38/h2-7,9,11-12,14,18-19,25-26,40-41H,1,8,10,13,15-16H2/t18-,19-,25+,26+/m0/s1