Compound Identification
SMILES
CN(C)C1=C(Br)C=C(C=C(C#N)C(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=FMULDRRTPXJWII-UHFFFAOYSA-N
Formula
C18H15BrN2O
Mass
355.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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 Dialkylarylamines Benzoyl derivatives Aryl ketones 2-bromoanilines Bromobenzenes Aryl bromides Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Nitriles Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - 2-bromoaniline - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Tertiary amine - Nitrile - Carbonitrile - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - 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