WDW
概要
| 表記: | 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone |
| 組成式: | C15 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 240.3 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 | 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone |
| OpenEye OEToolkits | 1.9.2 | 3,6-dihydro-2H-pyridin-1-yl-(5-methyl-1H-indol-2-yl)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 | O=C(c2cc1cc(ccc1n2)C)N3CC=CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O/c1-11-5-6-13-12(9-11)10-14(16-13)15(18)17-7-3-2-4-8-17/h2-3,5-6,9-10,16H,4,7-8H2,1H3 |
| InChIKey | InChI | 1.03 | QRPYFEVBXZYSAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC=CC3 |
| SMILES | CACTVS | 3.385 | Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC=CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3 |
