Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N |
InChI | InChI | 1.03 | InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28) |
InChIKey | InChI | 1.03 | VWEIPCRIPQWNJS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1 |
SMILES | CACTVS | 3.385 | Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N |