A1J3B
Summary
| Name: | 1^{7}-methoxy-4,7,10-trioxa-2-aza-1(4,6)-quinolina-3(1,2)-benzenacyclodecaphane-1^{3}-carbonitrile |
| Formula: | C21 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 377.393 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/C21H19N3O4/c1-25-19-11-17-15-10-20(19)28-9-7-26-6-8-27-18-5-3-2-4-16(18)24-21(15)14(12-22)13-23-17/h2-5,10-11,13,24H,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | COHGDHXUHVVZMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncc(C#N)c3Nc4ccccc4OCCOCCOc1cc23 |
| SMILES | CACTVS | 3.385 | COc1cc2ncc(C#N)c3Nc4ccccc4OCCOCCOc1cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOc4ccccc4Nc3c(cn2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c3cc1OCCOCCOc4ccccc4Nc3c(cn2)C#N |
