| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n1cccc(c1N)NCc4cccc(c2ccc3c(c2)ncc3)c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3 |
| SMILES | CACTVS | 3.341 | Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23) |
| InChIKey | InChI | 1.03 | LPQUIIHPUGDHJK-UHFFFAOYSA-N |
