VYM
概要
| 表記: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
| 組成式: | C13 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 216.279 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 | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
| OpenEye OEToolkits | 2.0.7 | (7-azanyl-3,4-dihydro-2~{H}-quinolin-1-yl)-cyclopropyl-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 | C(C1CC1)(=O)N3CCCc2ccc(cc23)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 |
| InChIKey | InChI | 1.03 | ZNDAWHMDCROZJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2CCCN(C(=O)C3CC3)c2c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2CCCN(C(=O)C3CC3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 |
