| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)c3n2nc(ccc2nc3)NCc4ccccc4)C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24) |
| InChIKey | InChI | 1.03 | OXQTXNVWTNDAQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cnc3ccc(NCc4ccccc4)nn23 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cnc3ccc(NCc4ccccc4)nn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N |
