Structure Information
Structure

Compound Identification

SMILES

COC(C1=CN=CN1C)(C1=CC=C(C=C1)C#N)C1=C(C=C(C#N)C(Cl)=N1)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=VQFKXIRILMVOJG-UHFFFAOYSA-N

Formula

C25H17Cl2N5O

Mass

474.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Sesquiterpenoid - Bisabolane sesquiterpenoid - 3-phenylpyridine - Benzylether - Benzonitrile - 3-pyridinecarbonitrile - 2-halopyridine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Aryl halide - Pyridine - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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