| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CC(=O)O)c1ccc(Br)cc1)c1ccc(cn1)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C17H18BrN3O3/c1-21(2)13-7-8-14(19-10-13)17(24)20-15(9-16(22)23)11-3-5-12(18)6-4-11/h3-8,10,15H,9H2,1-2H3,(H,20,24)(H,22,23)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | AIPFYHWZLYBABR-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(nc1)C(=O)N[C@@H](CC(O)=O)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(nc1)C(=O)N[CH](CC(O)=O)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(nc1)C(=O)N[C@@H](CC(=O)O)c2ccc(cc2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(nc1)C(=O)NC(CC(=O)O)c2ccc(cc2)Br |
