Compound Identification
SMILES
COC1=CC(=CC2=C1OCO2)C1=NC(CN2CCN(CC3=[N+](C)C=CN3)CC2)=C(C)O1
InChIKey
InChIKey=QLGCBFSYZCRNAD-UHFFFAOYSA-O
Formula
C22H28N5O4
Mass
426.496
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
Anisoles 2,4,5-trisubstituted oxazoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2,4,5-trisubstituted 1,3-oxazole - Anisole - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - 1,4-diazinane - N-substituted imidazole - Piperazine - Heteroaromatic compound - Azole - Imidazole - Oxazole - Tertiary aliphatic amine - Tertiary amine - Acetal - Ether - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic cation - 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