I4M
Summary
| Name: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene |
| Formula: | C20 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 355.431 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/C20H25N3O3/c1-22-8-2-3-9-23-17-6-7-21-15-20(17)26-19-5-4-16(14-18(19)23)25-13-12-24-11-10-22/h4-7,14-15H,2-3,8-13H2,1H3 |
| InChIKey | InChI | 1.03 | WTBWDBYLOIJUON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCCN2c3ccncc3Oc4ccc(OCCOCC1)cc24 |
| SMILES | CACTVS | 3.385 | CN1CCCCN2c3ccncc3Oc4ccc(OCCOCC1)cc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCCCN2c3ccncc3Oc4c2cc(cc4)OCCOCC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCCN2c3ccncc3Oc4c2cc(cc4)OCCOCC1 |
