Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3C(F)F |
InChI | InChI | 1.03 | InChI=1S/C15H14F2N2O2/c1-15(2)12(19-8-18-7-11(19)13(16)17)9-5-3-4-6-10(9)14(20)21-15/h3-8,12-13H,1-2H3/t12-/m1/s1 |
InChIKey | InChI | 1.03 | LAMQMSRGFJHTEW-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OC(=O)c2ccccc2[C@H]1n3cncc3C(F)F |
SMILES | CACTVS | 3.385 | CC1(C)OC(=O)c2ccccc2[CH]1n3cncc3C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(c2ccccc2C(=O)O1)n3cncc3C(F)F)C |