Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(cc1)CC(O)C(c2ccc(C#N)cc2)n3ncnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](Cc1ccc(F)cc1)[C@@H](n2cncn2)c3ccc(cc3)C#N |
SMILES | CACTVS | 3.341 | O[CH](Cc1ccc(F)cc1)[CH](n2cncn2)c3ccc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(c2ccc(cc2)C#N)n3cncn3)O)F |
InChI | InChI | 1.03 | InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1 |
InChIKey | InChI | 1.03 | SLJZVZKQYSKYNV-MSOLQXFVSA-N |