Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C |
InChI | InChI | 1.03 | InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20) |
InChIKey | InChI | 1.03 | XXDDSHXUGVBBOJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C |
SMILES | CACTVS | 3.385 | Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F |