Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c5cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)N4CCCN(C)CC4)cc5OC)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2nc(nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC)N5CCCN(C)CC5 |
SMILES | CACTVS | 3.341 | COc1cc2nc(nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC)N5CCCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31) |
InChIKey | InChI | 1.03 | OSXFATOLZGZLSK-UHFFFAOYSA-N |