Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(F)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(C)CCCC)=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C20H21FN4O4/c1-3-4-9-24(2)19(28)13-10-12(16(26)11-17(13)27)18-22-23-20(29)25(18)15-8-6-5-7-14(15)21/h5-8,10-11,26-27H,3-4,9H2,1-2H3,(H,23,29) |
InChIKey | InChI | 1.03 | LRPFOJAUXAMOQR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN(C)C(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccccc3F |
SMILES | CACTVS | 3.385 | CCCCN(C)C(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F |