Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.341 | C[CH](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F |
InChI | InChI | 1.03 | InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | WVGZKPGUHOZIJQ-HNNXBMFYSA-N |