| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N(C\C=C)C1CCCC1)c2cc(OCCCONC(=[N@H])N)cc(Cl)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C2CCCC2 |
| SMILES | CACTVS | 3.341 | NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23) |
| InChIKey | InChI | 1.03 | XWIUMAPBZWNFNV-UHFFFAOYSA-N |
