Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(F)c1CNC(=O)c2cc(ccc2)NCc4nnc(c3ncncc3)n4CCC |
SMILES_CANONICAL | CACTVS | 3.370 | CCCn1c(CNc2cccc(c2)C(=O)NCc3c(F)cccc3F)nnc1c4ccncn4 |
SMILES | CACTVS | 3.370 | CCCn1c(CNc2cccc(c2)C(=O)NCc3c(F)cccc3F)nnc1c4ccncn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F |
InChI | InChI | 1.03 | InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34) |
InChIKey | InChI | 1.03 | VWBSMGFTNCQOMB-UHFFFAOYSA-N |