| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(\C(=N\O)C)c2)(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+ |
| InChIKey | InChI | 1.03 | NRJRCKIOCQMNMC-BHGWPJFGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl |
