Compound Identification
SMILES
CCC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC(Cl)=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=YPERCYURDLBUAE-UHFFFAOYSA-N
Formula
C23H17ClN4O2
Mass
416.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,3-dioxepanes
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Class
Dioxepanes
-
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 Chlorobenzenes Oxanes Aryl chlorides Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-dioxepane - Ketal - Chlorobenzene - Halobenzene - Aryl chloride - 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 - Organochloride - 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