| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H12ClF3N4O2/c21-19-25-16(12-5-2-1-3-6-12)18(26-19)17-15(29)9-10-28(27-17)13-7-4-8-14(11-13)30-20(22,23)24/h1-11H,(H,25,26) |
| InChIKey | InChI | 1.03 | OZMRUQZSYJANRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F |
