| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NNC(=O)C13CC2CC(C1)CC(C2)C3)c4ccncc4 |
| InChI | InChI | 1.03 | InChI=1S/C17H21N3O2/c21-15(14-1-3-18-4-2-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13-,17- |
| InChIKey | InChI | 1.03 | VXKCGGYPMLXZKG-FBBPANFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c4ccncc4 |
| SMILES | CACTVS | 3.385 | O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 |
