Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC2(CCN(CC2)C(=O)c3ccc(nc3)C#N)Nc4c(F)ccc(F)c14 |
SMILES | CACTVS | 3.341 | NC1=NC2(CCN(CC2)C(=O)c3ccc(nc3)C#N)Nc4c(F)ccc(F)c14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) |
InChIKey | InChI | 1.03 | GIZYIOOBBUHOBS-UHFFFAOYSA-N |