Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c3cc(F)ccc3O1 |
SMILES | CACTVS | 3.341 | NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3 |
InChI | InChI | 1.03 | InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1 |
InChIKey | InChI | 1.03 | WAAPEIZFCHNLKK-UFBFGSQYSA-N |