| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C15H16F3N3O/c1-14(2,3)13(22)20-11-8-10(15(16,17)18)4-5-12(11)21-7-6-19-9-21/h4-9H,1-3H3,(H,20,22) |
| InChIKey | InChI | 1.06 | WCZICFAQRFQPAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F |
