Structure Information
Structure

Compound Identification

SMILES

FC1=C(Cl)C=CC(=C1)C1OC23CCCCCCCCCCC2C(C#N)(C(=N)O3)C1(C#N)C#N

InChIKey

InChIKey=PFVWFMFLBNFESC-UHFFFAOYSA-N

Formula

C25H26ClFN4O2

Mass

468.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,3-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,3-dioxepanes

Alternative Parents

Ketals Fluorobenzenes Chlorobenzenes Oxanes Aryl fluorides Aryl chlorides Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-dioxepane - Ketal - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Oxolane - Imido ester - Acetal - Oxacycle - Carbonitrile - Nitrile - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.

External Descriptors

Not available

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