種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3CCOCC3)N(C)c2cc1 |
InChI | InChI | 1.06 | InChI=1S/C20H25F3N2O2/c1-24-17-3-2-15(20(21,22)23)12-16(17)18(26)19(24)6-8-25(9-7-19)13-14-4-10-27-11-5-14/h2-3,12,14H,4-11,13H2,1H3 |
InChIKey | InChI | 1.06 | CEQWEVQYPPXCIW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F |
SMILES | CACTVS | 3.385 | CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F |