| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2 |
| InChIKey | InChI | 1.06 | UTKNCYCOFRHJAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)N4CCCC4 |
| SMILES | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccc4c3ccc(c4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccc4c3ccc(c4)C#N |
