種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21 |
InChI | InChI | 1.06 | InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23) |
InChIKey | InChI | 1.06 | HLMOMNRZAYBAJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23 |
SMILES | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F |