45V
Summary
| Name: | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide |
| Formula: | C15 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 258.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide |
| OpenEye OEToolkits | 1.9.2 | 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N,N-dimethyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(C)C)CC1c2ccccc2C=CN1C(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O2/c1-11(18)17-9-8-12-6-4-5-7-13(12)14(17)10-15(19)16(2)3/h4-9,14H,10H2,1-3H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | FYMMJTVLNAKHEX-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)C[C@@H]1N(C=Cc2ccccc12)C(C)=O |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)C[CH]1N(C=Cc2ccccc12)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C |
