Compound Identification
SMILES
CC1=CC=C(CCCC2(CN3C=CN=C3)OCC(C)(C)CO2)C=C1
InChIKey
InChIKey=NLUOPQRRYBABKV-UHFFFAOYSA-N
Formula
C20H28N2O2
Mass
328.456
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Ketals N-substituted imidazoles 1,3-dioxanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Ketal - Toluene - Meta-dioxane - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available