| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl |
| InChI | InChI | 1.06 | InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23) |
| InChIKey | InChI | 1.06 | FODVGONJGOTOHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 |
| SMILES | CACTVS | 3.385 | ClCC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)CCl)Oc2cc(cc(c2)Cl)C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)CCl)Oc2cc(cc(c2)Cl)C#N)Cl |
