| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27) |
| InChIKey | InChI | 1.06 | ZJJWUWSMGRXJIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
