Structure Information
Structure

Compound Identification

SMILES

CN1C=NN=C1C(C1=CC=C(C=C1)C#N)C1=CC2=C3N(CC2)C(=O)C=C(C2=CC(Cl)=CC=C2)C3=C1

InChIKey

InChIKey=DUQSPAQJEIFJHM-UHFFFAOYSA-N

Formula

C28H20ClN5O

Mass

477.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Phenylquinoline - 4-phenylpyridine - Dihydroquinolone - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Quinoline - Dihydroquinoline - Indole or derivatives - Benzonitrile - Pyridinone - Halobenzene - Chlorobenzene - Aryl chloride - Pyridine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Lactam - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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