| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21) |
| InChIKey | InChI | 1.06 | KPHBWCVSZXZCHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |
