Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H18F2N6O2/c25-18-5-2-6-19(26)22(18)31-24(34)28-11-14-3-1-4-16(9-14)32-23(33)17(13-29-32)21-10-15-12-27-8-7-20(15)30-21/h1-10,12-13,30,33H,11H2,(H2,28,31,34) |
InChIKey | InChI | 1.03 | BWWQOZHMBUJBOQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5c(F)cccc5F)c4 |
SMILES | CACTVS | 3.385 | Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5c(F)cccc5F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F |