6HZ
概要
| 表記: | (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone |
| 組成式: | C19 H19 N O |
| 電荷: | 0 |
| 化学式量: | 277.36 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 | (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone |
| OpenEye OEToolkits | 2.0.4 | 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone |
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 | Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3 |
| InChIKey | InChI | 1.03 | NIOIWNZLGVRPNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 |
