| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)CC |
| InChI | InChI | 1.03 | InChI=1S/C16H18BrN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | DAPHRWWQHCSXBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3CCNCC3 |
| SMILES | CACTVS | 3.370 | CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O |
