UTV
概要
| 表記: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one |
| 組成式: | C18 H17 F2 N O2 |
| 電荷: | 0 |
| 化学式量: | 317.33 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-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one |
| OpenEye OEToolkits | 2.0.7 | 1-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-2,2-dimethyl-indol-3-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(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F |
| InChI | InChI | 1.03 | InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3 |
| InChIKey | InChI | 1.03 | BSVSFPVFEQPRJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O |
| SMILES | CACTVS | 3.385 | CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C |
