| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccnc(O)c1Br)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H16BrN3O3/c14-11-8(3-4-16-13(11)20)6-10(18)17-5-1-2-9(7-17)12(15)19/h3-4,9H,1-2,5-7H2,(H2,15,19)(H,16,20)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FEHFYYIVCWNAFS-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccnc(O)c2Br |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccnc(O)c2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc(c(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)Br)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc(c(c1CC(=O)N2CCCC(C2)C(=O)N)Br)O |
