Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)C(=CC1=CC=CC=C1)N1C=NC=N1
InChIKey
InChIKey=ASQNXHPXQLGCKW-UHFFFAOYSA-N
Formula
C17H11Cl2N3O
Mass
344.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Aryl ketones Dichlorobenzenes Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Vinylogous halides Triazoles Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - 1,2,4-triazole - Vinylogous halide - Azole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Enone - Acryloyl-group - Ketone - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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