IWY
概要
| 表記: | ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate |
| 組成式: | C11 H17 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 239.271 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ethyl 1-methyl-5-(propylcarbamoyl)pyrazole-4-carboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cn1ncc(C(=O)OCC)c1C(=O)NCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O3/c1-4-6-12-10(15)9-8(7-13-14(9)3)11(16)17-5-2/h7H,4-6H2,1-3H3,(H,12,15) |
| InChIKey | InChI | 1.03 | NSQGAEZJPCGGAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)c1n(C)ncc1C(=O)OCC |
| SMILES | CACTVS | 3.385 | CCCNC(=O)c1n(C)ncc1C(=O)OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)c1c(cnn1C)C(=O)OCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)c1c(cnn1C)C(=O)OCC |
