Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(C=C(C#N)C(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NSBWVKKZJAZEMS-UHFFFAOYSA-N
Formula
C20H18Cl2N2O
Mass
373.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Nitrogen mustard compounds Dialkylarylamines Benzoyl derivatives Aryl ketones Aniline and substituted anilines Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoyl - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Tertiary amine - Ketone - Carbonitrile - Nitrile - Alkyl halide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Alkyl chloride - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available