1IB
概要
表記: | N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
組成式: | C18 H24 F2 N2 O |
電荷: | 0 |
化学式量: | 322.393 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 | ~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
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 | 1.03 | InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18- |
InChIKey | InChI | 1.03 | SXMBKHYDZOCBMT-PPUGGXLSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@@H]1C[C@@](F)(C1)c2ccc(CN3CCCC3)c(F)c2 |
SMILES | CACTVS | 3.385 | CCNC(=O)[CH]1C[C](F)(C1)c2ccc(CN3CCCC3)c(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F |