| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)nn1 |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3 |
| InChIKey | InChI | 1.03 | PUKLCDKNRBGLKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl |
