LEB
概要
| 表記: | 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine |
| 組成式: | C16 H14 Br F3 N2 |
| 電荷: | 0 |
| 化学式量: | 371.195 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 | 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine |
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/C16H14BrF3N2/c1-21-8-10-2-5-14-13(6-10)12-4-3-11(17)7-15(12)22(14)9-16(18,19)20/h2-7,21H,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | CSLYGNIMFCLAJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1 |
| SMILES | CACTVS | 3.385 | CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br |
