Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C=C(O1)C1=C(N2C=CC=C2)C2=C(C3=CC=C(Cl)C=C3)C3=C(CCCC3)N=C2S1)C1=CC=CC=C1

InChIKey

InChIKey=KZGWEDUPWXCFKU-UHFFFAOYSA-N

Formula

C33H25ClN4OS

Mass

561.1

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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 - Quinoline - Thienopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Pyridine - Pyran - Heteroaromatic compound - Thiophene - Pyrrole - Ketene acetal or derivatives - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Cyanide - 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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