| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1c[NH]c2ccc(cc21)C(=O)Nc1cccc(c1)c1nnn[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C16H11BrN6O/c17-13-8-18-14-5-4-10(7-12(13)14)16(24)19-11-3-1-2-9(6-11)15-20-22-23-21-15/h1-8,18H,(H,19,24)(H,20,21,22,23) |
| InChIKey | InChI | 1.03 | XFHGTCMLEBYPMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc(c3)c4[nH]nnn4 |
| SMILES | CACTVS | 3.385 | Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc(c3)c4[nH]nnn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)c2ccc3c(c2)c(c[nH]3)Br)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)c2ccc3c(c2)c(c[nH]3)Br)c4[nH]nnn4 |
