H2M
概要
| 表記: | 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one |
| 組成式: | C17 H12 F3 N O |
| 電荷: | 0 |
| 化学式量: | 303.278 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-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one |
| OpenEye OEToolkits | 2.0.6 | 1-[2-[3-(trifluoromethyl)phenyl]phenyl]-3~{H}-pyrrol-2-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 | c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2 |
| InChIKey | InChI | 1.03 | AIIYIYPODZMVSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O |
