Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(C(OC)=O)C(C)(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O |
InChI | InChI | 1.03 | InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | RFCDVEHNYDVCMU-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C |
SMILES | CACTVS | 3.385 | COC(=O)[CH](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F |