| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25) |
| InChIKey | InChI | 1.03 | UIZYWUYIFDOVIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2 |
| SMILES | CACTVS | 3.385 | CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl |
