| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc2ccc(OCCCCCC/N=C(\NC#N)Nc1ccncc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25) |
| InChIKey | InChI | 1.03 | BOIPLTNGIAPDBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCCCCCCN=C(NC#N)Nc2ccncc2)Cl |
