M79
概要
表記: | 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
組成式: | C18 H26 Cl N3 O2 |
電荷: | 0 |
化学式量: | 351.871 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 | 2-chloranyl-~{N}-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
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 | 1.06 | InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23) |
InChIKey | InChI | 1.06 | WCADFXCJTLAGNP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
SMILES | CACTVS | 3.385 | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2 |