Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27) |
InChIKey | InChI | 1.03 | MZJVFMHLRQGSTA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1 |
SMILES | CACTVS | 3.385 | Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N |