| 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)C2N(C(=O)C(N)CC)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | YHAMQFKGUUSJMU-KGLIPLIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.385 | CC[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)N |
