| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3(cc(CNC(c1cc(ccc1)Cn2ccnc2)=O)cc(c3)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H15Cl2N3O/c19-16-7-14(8-17(20)9-16)10-22-18(24)15-3-1-2-13(6-15)11-23-5-4-21-12-23/h1-9,12H,10-11H2,(H,22,24) |
| InChIKey | InChI | 1.03 | JZXCLJKOXUVFTA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)cc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)cc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3 |
