種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1 |
InChI | InChI | 1.03 | InChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3 |
InChIKey | InChI | 1.03 | FMBOBXXAORGVDA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCOc2cc3ccccc3cn2)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | Cc1oc(nc1CCOc2cc3ccccc3cn2)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccc(cc2)F)CCOc3cc4ccccc4cn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccc(cc2)F)CCOc3cc4ccccc4cn3 |