Structure Information
Structure

Compound Identification

SMILES

CCC12OC(=N)C(C#N)(C1C)C(C#N)(C#N)C(O2)C(C)C1=CC=CC=C1

InChIKey

InChIKey=BXEQQOJYZFTVTR-UHFFFAOYSA-N

Formula

C20H20N4O2

Mass

348.406

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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 Oxanes Benzene and substituted derivatives Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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