JJU
概要
| 表記: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid |
| 組成式: | C18 H12 F3 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 359.302 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 | 2.0.7 | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid |
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 | 1.06 | InChI=1S/C18H12F3N3O2/c1-23-9-14-13-8-10(17(25)26)2-7-15(13)24(16(14)22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26) |
| InChIKey | InChI | 1.06 | HUSMWXZHQVTDRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F)C(=O)O |
