| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCC2)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C21H30N4O2/c22-20(23)17-10-7-16(8-11-17)14-24-21(27)18-6-3-13-25(18)19(26)12-9-15-4-1-2-5-15/h7-8,10-11,15,18H,1-6,9,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | BNCHHUFGEOJCNH-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCC3CCCC3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | [H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1cc(ccc1CNC(=O)C2CCCN2C(=O)CCC3CCCC3)C(=N)N |
