| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C19H20BrF3N2O2/c20-12-7-8-16-14(9-12)15(18(27)19(21,22)23)10-25(16)11-17(26)24-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,24,26) |
| InChIKey | InChI | 1.06 | LJWGWJLCHFYATI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c3ccc(Br)cc13 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c3ccc(Br)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F |
