| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23) |
| InChIKey | InChI | 1.03 | HEPZUVCMUSWIQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1oc2ccccc2n1)N3CCN(CC3)C(=O)c4occc4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1oc2ccccc2n1)N3CCN(CC3)C(=O)c4occc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4 |
