Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4 |
InChI | InChI | 1.03 | InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3 |
InChIKey | InChI | 1.03 | DKSVBVKHUICELN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1noc2cc(OCCC3CCN(CC3)c4ccc(C)nn4)ccc12 |
SMILES | CACTVS | 3.370 | CCOc1noc2cc(OCCC3CCN(CC3)c4ccc(C)nn4)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C |