| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCC2c3c(Oc1c2cccc1)cccc3)C4CCCNC4 |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | WUFJDXQJUMCLAA-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCC1c2ccccc2Oc3ccccc13)[C@H]4CCCNC4 |
| SMILES | CACTVS | 3.370 | O=C(NCC1c2ccccc2Oc3ccccc13)[CH]4CCCNC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)C4CCCNC4 |
