Compound Identification
SMILES
C[C@@H]([NH+]1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=NN=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=WMUQZRIIPIQTIW-MRXNPFEDSA-O
Formula
C22H25N4O3
Mass
393.466
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 Benzene and substituted derivatives Heteroaromatic compounds 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 - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - 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