Structure Information
Structure

Compound Identification

SMILES

CCCC1CCC23OC(=N)C(C#N)(C2C1)C(C#N)(C#N)C(O3)C1=C(F)C(F)=C(F)C(F)=C1F

InChIKey

InChIKey=QBNNPGTUEJSIQY-UHFFFAOYSA-N

Formula

C22H17F5N4O2

Mass

464.396

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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 Oxanes Aryl fluorides Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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