| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
| SMILES | CACTVS | 3.341 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) |
| InChIKey | InChI | 1.03 | OVCDSSHSILBFBN-UHFFFAOYSA-N |
