Compound Identification
SMILES
O=C1C=CN(N=C1C1=CC=NN1C1=CC2=C(OCCO2)C=C1)C1=CC(=NC=C1)C#N
InChIKey
InChIKey=XYHUHGOPMVQNSD-UHFFFAOYSA-N
Formula
C21H14N6O3
Mass
398.382
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Alkyl aryl ethers Pyridines and derivatives Pyridazines and derivatives Para dioxins Benzenoids Vinylogous amides Pyrazoles Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Pyridazine - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Nitrile - Carbonitrile - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Cyanide - 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 benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available