7W8
概要
| 表記: | 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile |
| 別名: | 2-Amino-6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-1H-indole-3-carbonitrile |
| 組成式: | C18 H17 F N4 |
| 電荷: | 0 |
| 化学式量: | 308.353 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-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1~{H}-indole-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 | 1.06 | InChI=1S/C18H17FN4/c1-23(2)10-11-3-6-16(19)14(7-11)12-4-5-13-15(9-20)18(21)22-17(13)8-12/h3-8,22H,10,21H2,1-2H3 |
| InChIKey | InChI | 1.06 | GRLWZOYXIMBFRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(F)c(c1)c2ccc3c([nH]c(N)c3C#N)c2 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(F)c(c1)c2ccc3c([nH]c(N)c3C#N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(c(c1)c2ccc3c(c2)[nH]c(c3C#N)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(c(c1)c2ccc3c(c2)[nH]c(c3C#N)N)F |
