YDQ
Summary
| Name: | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one |
| Synonyms: | BADAN |
| Formula: | C14 H14 Br N O |
| Formal charge: | 0 |
| Formula weight: | 292.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-1-[6-(dimethylamino)naphthalen-2-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrCC(=O)c1ccc2cc(ccc2c1)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | ZEIHZWQYRTVVMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc2cc(ccc2c1)C(=O)CBr |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc2cc(ccc2c1)C(=O)CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2cc(ccc2c1)C(=O)CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2cc(ccc2c1)C(=O)CBr |
