| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | N#Cc1c4c(c(cc1)N2C(=O)C3N(C2=O)CCC3O)cccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CCN2[C@@H]1C(=O)N(C2=O)c3ccc(C#N)c4ccccc34 |
| SMILES | CACTVS | 3.341 | O[CH]1CCN2[CH]1C(=O)N(C2=O)c3ccc(C#N)c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccc2N3C(=O)C4C(CCN4C3=O)O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14-15,21H,7-8H2/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | NHBIWLQQJPSMNP-CABCVRRESA-N |
