O83
概要
| 表記: | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| 組成式: | C16 H16 F2 N2 |
| 電荷: | 0 |
| 化学式量: | 274.308 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 | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| OpenEye OEToolkits | 1.7.6 | 1-[9-[2,2-bis(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 |
| SMILES | ACDLabs | 12.01 | c12n(c3c(c1cccc2)cc(cc3)CNC)CC(F)F |
| InChI | InChI | 1.03 | InChI=1S/C16H16F2N2/c1-19-9-11-6-7-15-13(8-11)12-4-2-3-5-14(12)20(15)10-16(17)18/h2-8,16,19H,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | RDPWHUKZFUEICI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc2n(CC(F)F)c3ccccc3c2c1 |
| SMILES | CACTVS | 3.385 | CNCc1ccc2n(CC(F)F)c3ccccc3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1ccc2c(c1)c3ccccc3n2CC(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1ccc2c(c1)c3ccccc3n2CC(F)F |
