Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(c2)C[NH3+])c(F)c3C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(F)c(Oc2cccc(C[NH3+])c2)nc(Oc3cccc(c3)C(N)=[NH2+])c1F |
SMILES | CACTVS | 3.341 | Cc1c(F)c(Oc2cccc(C[NH3+])c2)nc(Oc3cccc(c3)C(N)=[NH2+])c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F |
InChI | InChI | 1.03 | InChI=1S/C20H18F2N4O2/c1-11-16(21)19(27-14-6-2-4-12(8-14)10-23)26-20(17(11)22)28-15-7-3-5-13(9-15)18(24)25/h2-9H,10,23H2,1H3,(H3,24,25)/p+2 |
InChIKey | InChI | 1.03 | GJHKKJHVSXUANP-UHFFFAOYSA-P |