| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H23BrClN3O3/c1-16-2-8-20(27)15-23(16)30-12-10-29(11-13-30)22-9-5-18(25(32)33)14-21(22)28-24(31)17-3-6-19(26)7-4-17/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,32,33) |
| InChIKey | InChI | 1.06 | LCEHOBBNMWKUSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Br)cc4)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(Cl)cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Br)cc4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)Br)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)Br)C(=O)O)Cl |
