Q7R
概要
| 表記: | 1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one |
| 組成式: | C19 H22 N2 O |
| 電荷: | 0 |
| 化学式量: | 294.391 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-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(diphenylmethyl)piperazin-1-yl]ethanone |
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 | CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3 |
| InChIKey | InChI | 1.06 | XFKXNYYYOGBBGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3 |
