Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H18F2N6O/c1-12-7-13(10-26)11-29-19(12)22(32)30-14-3-4-18(24)17(8-14)23(2)9-16-15(21(27)31-23)5-6-28-20(16)25/h3-8,11H,9H2,1-2H3,(H2,27,31)(H,30,32)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | UOHLPZVSOSMODJ-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C@]3(C)Cc4c(F)nccc4C(=N3)N)C#N |
SMILES | CACTVS | 3.385 | Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4c(F)nccc4C(=N3)N)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1C(=O)Nc2ccc(c(c2)C3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N |