| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C19H17BrF3N3O2/c1-4-26(13-7-5-6-11(2)8-13)15(27)10-28-18-14(9-24)16(19(21,22)23)17(20)12(3)25-18/h5-8H,4,10H2,1-3H3 |
| InChIKey | InChI | 1.06 | OFTSRQPYUSQTEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c2cccc(C)c2 |
| SMILES | CACTVS | 3.385 | CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c2cccc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(c1cccc(c1)C)C(=O)COc2c(c(c(c(n2)C)Br)C(F)(F)F)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(c1cccc(c1)C)C(=O)COc2c(c(c(c(n2)C)Br)C(F)(F)F)C#N |
