| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ncc2ccc(Br)cn21)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H17BrN4O2/c16-11-3-4-12-7-18-13(20(12)9-11)6-14(21)19-5-1-2-10(8-19)15(17)22/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,22)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | MDQREZRKEBAFAE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ncc3ccc(Br)cn23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ncc3ccc(Br)cn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cn2c1cnc2CC(=O)N3CCC[C@@H](C3)C(=O)N)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cn2c1cnc2CC(=O)N3CCCC(C3)C(=O)N)Br |
