8-fluoranyl-4-[2-[[2-(trifluoromethyl)quinolin-4-yl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Systemtic Name: 8-fluoranyl-4-[2-[[2-(trifluoromethyl)quinolin-4-yl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Openeye Name: 8-fluoro-4-[2-[[2-(trifluoromethyl)-4-quinolyl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one CAS Name: 8-fluoro-4-[2-[[2-(trifluoromethyl)-4-quinolinyl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one IUPAC Name: 8-fluoro-4-[2-[[2-(trifluoromethyl)quinolin-4-yl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Traditional Name: 8-fluoro-4-[2-[[2-(trifluoromethyl)-4-quinolyl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Formula: C21H15F4N7O MolecularWeight: 457.383713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)NCCNC3=NC4=C(C=C(C=C4)F)N5C3=NNC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)NCCNC3=NC4=C(C=C(C=C4)F)N5C3=NNC5=O

InChI

InChI=1S/C21H15F4N7O/c22-11-5-6-14-16(9-11)32-19(30-31-20(32)33)18(29-14)27-8-7-26-15-10-17(21(23,24)25)28-13-4-2-1-3-12(13)15/h1-6,9-10H,7-8H2,(H,26,28)(H,27,29)(H,31,33)