YDM
Summary
Name: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
Synonyms: | acrylodan, bound form |
Formula: | C15 H17 N O |
Formal charge: | 0 |
Formula weight: | 227.302 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
OpenEye OEToolkits | 2.0.7 | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
InChI | InChI | 1.06 | InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3 |
InChIKey | InChI | 1.06 | MPPQGYCZBNURDG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |