Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C3NCC(n1nnc(c1)c2ccc(F)cc2)C3 |
InChI | InChI | 1.03 | InChI=1S/C13H13FN4O2/c14-9-3-1-8(2-4-9)12-7-18(17-16-12)10-5-11(13(19)20)15-6-10/h1-4,7,10-11,15H,5-6H2,(H,19,20)/t10-,11-/m0/s1 |
InChIKey | InChI | 1.03 | ZOARAQYNIFGSNI-QWRGUYRKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@@H](CN1)n2cc(nn2)c3ccc(F)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)n2cc(nn2)c3ccc(F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2cn(nn2)C3CC(NC3)C(=O)O)F |