Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc5cc(O)ccc5C1=Nc4c(c2c3c1cnc3ncc2)cccc4 |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccc(c(Cl)c1)C2=Nc3ccccc3c4ccnc5[nH]cc2c45 |
SMILES | CACTVS | 3.352 | Oc1ccc(c(Cl)c1)C2=Nc3ccccc3c4ccnc5[nH]cc2c45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O |
InChI | InChI | 1.03 | InChI=1S/C20H12ClN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,25H,(H,22,23) |
InChIKey | InChI | 1.03 | JBHMPWHPXOOFNL-UHFFFAOYSA-N |