| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 |
| InChIKey | InChI | 1.03 | JNAABFZPXJJMPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F |
