ZX3
Summary
| Name: | 3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide |
| Formula: | C26 H37 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 511.616 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H37N7O4/c1-2-20-25-28-18-5-7-32(8-6-18)9-12-36-15-16-37-22-17-19(29-26(31-25)23(30-20)24(27)34)3-4-21(22)33-10-13-35-14-11-33/h3-4,17-18H,2,5-16H2,1H3,(H2,27,34)(H2,28,29,31) |
| InChIKey | InChI | 1.06 | LXUHFRDECMQRJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(C(N)=O)c2Nc3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3 |
| SMILES | CACTVS | 3.385 | CCc1nc(C(N)=O)c2Nc3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c2nc(c(n1)C(=O)N)Nc3ccc(c(c3)OCCOCCN4CCC(N2)CC4)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c2nc(c(n1)C(=O)N)Nc3ccc(c(c3)OCCOCCN4CCC(N2)CC4)N5CCOCC5 |
