CZX
概要
| 表記: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole |
| 組成式: | C13 H16 N2 |
| 電荷: | 0 |
| 化学式量: | 200.28 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | CUHVIMMYOGQXCV-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](c1c[nH]cn1)c2cccc(C)c2C |
| SMILES | CACTVS | 3.385 | C[CH](c1c[nH]cn1)c2cccc(C)c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1C)[C@H](C)c2c[nH]cn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1C)C(C)c2c[nH]cn2 |
