| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28) |
| InChIKey | InChI | 1.06 | BKUIZWILNWHFHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N |
| SMILES | CACTVS | 3.385 | O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N |
