| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCCC3=CC(=O)n2nc(CC(=O)N1CCCC1)c(c2N3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O2/c1-2-5-11-8-15(23)21-16(18-11)12(10-17)13(19-21)9-14(22)20-6-3-4-7-20/h8,18H,2-7,9H2,1H3 |
| InChIKey | InChI | 1.03 | IBJDXQJWRXJZBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=CC(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2N1 |
| SMILES | CACTVS | 3.385 | CCCC1=CC(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 |
