Compound Identification
SMILES
CC1(OCCCC1(NCC1=CC=CC=C1)C#N)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=MCYMGAPWENXUNZ-UHFFFAOYSA-N
Formula
C21H22N2O3
Mass
350.418
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
Phenylmethylamines Benzylamines Aralkylamines Oxanes Alpha-aminonitriles Oxacyclic compounds Dialkylamines Dialkyl ethers Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Oxane - Benzenoid - Alpha-aminonitrile - Acetal - Dialkyl ether - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Amine - 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