| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OCc1ccccc1)N2C(C(=O)NNCCCCN)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCNNC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2 |
| SMILES | CACTVS | 3.370 | NCCCCNNC(=O)[CH]1CCCN1C(=O)OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)N2CCCC2C(=O)NNCCCCN |
| InChI | InChI | 1.03 | InChI=1S/C17H26N4O3/c18-10-4-5-11-19-20-16(22)15-9-6-12-21(15)17(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13,18H2,(H,20,22)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | MOCIXHUQBOUBAK-HNNXBMFYSA-N |
