D1Z
Summary
| Name: | ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide |
| Formula: | C30 H36 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 532.631 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H36N4O5/c1-34(2)18-20-6-4-7-22(16-20)32-26-11-10-25(33-30(26)36-3)24-8-5-9-27-28(24)39-23(19-38-27)17-31-29(35)21-12-14-37-15-13-21/h4-11,16,21,23,32H,12-15,17-19H2,1-3H3,(H,31,35)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | FZJOWQUOIQPJIY-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OC[C@@H](CNC(=O)C5CCOCC5)Oc34 |
| SMILES | CACTVS | 3.385 | COc1nc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OC[CH](CNC(=O)C5CCOCC5)Oc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3OC(CO4)CNC(=O)C5CCOCC5 |
