Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | FC(F)(F)c2cc(cc(n1cc(nc1)C)c2)NC(=O)c3cc(c(cc3)C)\C=C\n4c5ncnc(c5nc4)NC6CC6 |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(/C=C/n4cnc5c(NC6CC6)ncnc45)c3)cc(c2)C(F)(F)F |
SMILES | CACTVS | 3.352 | Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(C=Cn4cnc5c(NC6CC6)ncnc45)c3)cc(c2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+ |
InChIKey | InChI | 1.03 | XQBYDVRVYRYLCH-BQYQJAHWSA-N |