T21
概要
| 表記: | 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one |
| 組成式: | C14 H8 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 279.214 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 | 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-[3-(trifluoromethyl)phenyl]-5H-furo[3,2-c]pyridin-4-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 | C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19) |
| InChIKey | InChI | 1.03 | ICVXPLDIRPNIOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O |
