| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H16F3N3O3/c1-11(2)28-13-6-3-5-12(9-13)15-7-4-8-16(24-15)25-17(19(20,21)22)14(10-23-25)18(26)27/h3-11H,1-2H3,(H,26,27) |
| InChIKey | InChI | 1.03 | FINLYLBWMQZNIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(C)Oc1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F |
