Q8W
Summary
| Name: | 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene |
| Formula: | C22 H26 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 406.481 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 | 1.03 | InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+ |
| InChIKey | InChI | 1.03 | BNIVJTOABGYPDF-NTCAYCPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN2CCOCC2)/C=C/Oc3cccc(c3)c4cnn5C=CC(=Nc45)N1 |
| SMILES | CACTVS | 3.385 | C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)OC=CN(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5 |
