Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(#N)c1cnc(cc1)C(Nc2cc(c(F)cc2)C4(N=C(c3cccn3C4)N)C)=O |
InChI | InChI | 1.03 | InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | FZFJUKOAGOAQFB-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(Cn2cccc2C(=N1)N)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F |
SMILES | CACTVS | 3.385 | C[C]1(Cn2cccc2C(=N1)N)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N |