Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccc2CC=C(Cc2n1)OCc1cccc(CNCc2ccccn2)c1 |
InChI | InChI | 1.03 | InChI=1S/C23H24N4O/c24-23-10-8-19-7-9-21(13-22(19)27-23)28-16-18-5-3-4-17(12-18)14-25-15-20-6-1-2-11-26-20/h1-6,8-12,25H,7,13-16H2,(H2,24,27) |
InChIKey | InChI | 1.03 | KJHXGBWLZFPKIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3 |
SMILES | CACTVS | 3.385 | Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N |