| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H11F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-9H,(H,25,28)(H,26,29) |
| InChIKey | InChI | 1.03 | JIIXZPWFDKPNKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1nn2ccccc2c1C(=O)Nc3c(F)c(F)c(c(F)c3F)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Oc1nn2ccccc2c1C(=O)Nc3c(F)c(F)c(c(F)c3F)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F |
