| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1cccc(c1)C4CCC(N2CCN(CC2)c3cc(cnc3)Br)CC4 |
| InChI | InChI | 1.03 | InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+ |
| InChIKey | InChI | 1.03 | GPGOZHVXQXMXPF-RVWIWJKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)[C@H]2CC[C@H](CC2)N3CCN(CC3)c4cncc(Br)c4 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)[CH]2CC[CH](CC2)N3CCN(CC3)c4cncc(Br)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br |
