| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C17H19N3O3/c21-16(15-7-4-12-23-15)19-8-10-20(11-9-19)17(22)18-13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22) |
| InChIKey | InChI | 1.06 | QWLFDMKGVVLROL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3 |
