| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCCC2)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C22H32N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | DOTBZTLJSXFKCP-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1cc(ccc1CNC(=O)C2CCCN2C(=O)CCC3CCCCC3)C(=N)N |
