| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C)(NCCCNCc1ccc(c(c1)Cl)c2ccccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H21ClN2O/c1-14(22)21-11-5-10-20-13-15-8-9-17(18(19)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22) |
| InChIKey | InChI | 1.03 | YKOOMRAFJFSHPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
