| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1 |
| SMILES | CACTVS | 3.352 | Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3 |
| InChI | InChI | 1.03 | InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2 |
| InChIKey | InChI | 1.03 | GNJXIZOPHGMAQW-UHFFFAOYSA-P |
