| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | BPIFALCAPCGTGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N |
| SMILES | CACTVS | 3.385 | Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N |
