Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NN(C=C1C1=C(C#N)C(N)=C(C#N)C(=C1)C1=CC=C(Br)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=HPWPGIRHBSDEEP-UHFFFAOYSA-N

Formula

C30H20BrN5O

Mass

546.428

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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 heteromonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Biphenylcarbonitrile - Brominated biphenyl - Biphenyl - Phenylpyrazole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Benzonitrile - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic 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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