Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21) |
InChIKey | InChI | 1.03 | AAAVVDAKZZKRGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F |