Compound Identification
SMILES
CC1=CC(=C(C)O1)C1=NN=C(C[NH+]2CCN(CC3=CC4=C(OCO4)C=C3)CC2)O1
InChIKey
InChIKey=LUNBWPAVGQNKMH-UHFFFAOYSA-O
Formula
C21H25N4O4
Mass
397.454
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
N-alkylpiperazines Aralkylamines Benzenoids Heteroaromatic compounds Furans 1,3,4-oxadiazoles Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Furan - Oxadiazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen 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