Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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