| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | DHTDEOJRSYUVPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N |
| SMILES | CACTVS | 3.385 | COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl |
