K72
概要
表記: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine |
組成式: | C17 H20 F3 N |
電荷: | 0 |
化学式量: | 295.343 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 | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine |
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/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+ |
InChIKey | InChI | 1.03 | ONJVYKXNJUTMAU-FRKQTSRXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\N1CCC(CC1)\C=C\c2ccc(cc2)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F |