| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C28H20F3N7O/c1-17-5-6-20(26(39)34-22-4-2-3-21(16-22)28(29,30)31)15-23(17)35-27-37-24(18-7-11-32-12-8-18)36-25(38-27)19-9-13-33-14-10-19/h2-16H,1H3,(H,34,39)(H,35,36,37,38) |
| InChIKey | InChI | 1.03 | QRGMMQTYOVICBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F |
