AH9
Summary
| Name: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
| Formula: | C12 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 221.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
| OpenEye OEToolkits | 2.0.6 | 6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1CN(CCc1cc(c2OC)OC)C=O |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO3/c1-15-11-5-9-3-4-13(8-14)7-10(9)6-12(11)16-2/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | ARFLPTKBAXCEKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN(Cc2cc1OC)C=O |
| SMILES | CACTVS | 3.385 | COc1cc2CCN(Cc2cc1OC)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)CN(CC2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)CN(CC2)C=O |
