Z13
概要
表記: | (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine |
組成式: | C16 H11 F6 N |
電荷: | 0 |
化学式量: | 331.256 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 | (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine |
OpenEye OEToolkits | 1.7.6 | 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine |
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 | FC(F)(F)c2ccc(/C=N/Cc1ccc(cc1)C(F)(F)F)cc2 |
InChI | InChI | 1.03 | InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2 |
InChIKey | InChI | 1.03 | ZQHUZWLWETYCDW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F |