Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | ORHZQSYKGHHDOP-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F |
SMILES | CACTVS | 3.385 | C[C]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N |