Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES | CACTVS | 3.341 | Fc1ccccc1c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F |
InChI | InChI | 1.03 | InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2 |
InChIKey | InChI | 1.03 | ZAIYYXVHGBMLEC-UHFFFAOYSA-N |