| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(ccc(c(c1)C(=O)Nc2nccn2)Cl)CNC(=O)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22) |
| InChIKey | InChI | 1.03 | MBAHGUNQNAJTLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc2[nH]ccn2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc2[nH]ccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl |
