| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2 |
| SMILES | CACTVS | 3.341 | CCC(C)(C)C(=O)C(=O)N1CCC[CH]1C(=O)OCCCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | OQAHHWOPVDDWHD-INIZCTEOSA-N |
