Compound Identification
SMILES
FC1=CC(C2OC34CCCCCCC3C(C#N)(C(=N)O4)C2(C#N)C#N)=C(F)C=C1
InChIKey
InChIKey=CNAVQYYNKJKGFN-UHFFFAOYSA-N
Formula
C21H18F2N4O2
Mass
396.398
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Dioxepanes
- Subclass 1,3-dioxepanes
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Class
Dioxepanes
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Superclass
Organoheterocyclic compounds
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