Compound Identification
SMILES
CN1C(C)=NC=C1C(OCC1=C(C=C(C=C1)C#N)C1=CC2=C(OCO2)C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=KLNLNTKIKMROQI-UHFFFAOYSA-N
Formula
C28H22N4O3
Mass
462.509
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Benzylethers Benzonitriles 1,2,5-trisubstituted imidazoles N-substituted imidazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzylether - 1,2,5-trisubstituted-imidazole - Benzonitrile - Trisubstituted imidazole - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Acetal - Oxacycle - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available