Q98
Summary
| Name: | 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one |
| Formula: | C17 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 323.349 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/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23) |
| InChIKey | InChI | 1.03 | SOQJGMPMKVQEAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2 |
| SMILES | CACTVS | 3.385 | O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3 |
