| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1 |
| InChI | InChI | 1.03 | InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2 |
| InChIKey | InChI | 1.03 | QDOXEUXHHCGQMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 |
| SMILES | CACTVS | 3.385 | Fc1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4ccc(nn4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4ccc(nn4)C#N |
