B7H
概要
| 表記: | 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile |
| 組成式: | C15 H13 F N4 O |
| 電荷: | 0 |
| 化学式量: | 284.288 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.7.6 | 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C15H13FN4O/c1-7-11(6-17)19-20-12(7)8-4-9-13(10(16)5-8)18-14(21)15(9,2)3/h4-5H,1-3H3,(H,18,21)(H,19,20) |
| InChIKey | InChI | 1.03 | OQCSCPAZLQNXQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c([nH]nc1C#N)c2cc(F)c3NC(=O)C(C)(C)c3c2 |
| SMILES | CACTVS | 3.385 | Cc1c([nH]nc1C#N)c2cc(F)c3NC(=O)C(C)(C)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N |
