BQ2
Summary
| Name: | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2 |
| InChIKey | InChI | 1.03 | GAWPDYDIDUAIGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)N1CCc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | OCC(=O)N1CCc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCN(C2)C(=O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCN(C2)C(=O)CO |
