種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc3ccc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O |
SMILES | CACTVS | 3.341 | CC(C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3 |
InChI | InChI | 1.03 | InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20) |
InChIKey | InChI | 1.03 | YVJFHKQYMKKIHK-UHFFFAOYSA-N |