Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(NC(=O)C1)=O)c2cnc3c2cc(cc3)F |
InChI | InChI | 1.03 | InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | MXKLDYKORJEOPR-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O |