| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | LVASCWIMLIKXLA-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1CCCN[C@@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O |
| SMILES | CACTVS | 3.370 | O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)CC3C(CCCN3)O |
