40N
概要
| 表記: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one |
| 組成式: | C16 H10 F N O3 |
| 電荷: | 0 |
| 化学式量: | 283.254 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 | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one |
| OpenEye OEToolkits | 1.9.2 | 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one |
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 | Fc4ccccc4C=3Nc2cc1OCOc1cc2C(=O)C=3 |
| InChI | InChI | 1.03 | InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19) |
| InChIKey | InChI | 1.03 | ZMYDAPJHGNEFGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F |
