Compound Identification
SMILES
O=C(COC(=O)C1=CN2C=CC=CC2=N1)N(CCC#N)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=RQXCJIKVIGZMOR-UHFFFAOYSA-N
Formula
C21H18N4O5
Mass
406.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
-
Class
Benzodioxanes
-
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
Imidazo[1,2-a]pyridines Imidazopyridines Alkyl aryl ethers Carbonylimidazoles N-substituted imidazoles Benzenoids Para dioxins Pyridines and derivatives Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Imidazo[1,2-a]pyridine - Imidazopyridine - Alkyl aryl ether - Imidazole-4-carbonyl group - Benzenoid - Pyridine - Para-dioxin - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - 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