EJE
概要
表記: | [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine |
組成式: | C22 H21 F N4 |
電荷: | 0 |
化学式量: | 360.427 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 | 2.0.6 | [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine |
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/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3 |
InChIKey | InChI | 1.03 | WOAOENGFAAUUGT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)cc4C |
SMILES | CACTVS | 3.385 | Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)cc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN |