Q9B
Summary
| Name: | 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: | C18 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 321.376 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/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24) |
| InChIKey | InChI | 1.03 | FZYFWWFZJSULHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2 |
| SMILES | CACTVS | 3.385 | O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3 |
