| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 |
| SMILES | CACTVS | 3.341 | CN(C)C[CH](O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CC(Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O |
| InChI | InChI | 1.03 | InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | XUBJEDZHBUPBKL-ZDUSSCGKSA-N |
