Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(cc(cc1)c4c(c3ccc2n(c(cn2)C#N)n3)n(cn4)CCO)Cl)F |
InChI | InChI | 1.03 | InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2 |
InChIKey | InChI | 1.03 | VZZBCNXVZFAIQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCn1cnc(c2ccc(F)c(Cl)c2)c1c3ccc4ncc(C#N)n4n3 |
SMILES | CACTVS | 3.385 | OCCn1cnc(c2ccc(F)c(Cl)c2)c1c3ccc4ncc(C#N)n4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F |