Compound Identification
SMILES
COC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C#N)C(=N)C2(C#N)C#N)C1=CC(C)=CC=C1
InChIKey
InChIKey=QVOKQDYGTHIQBC-WOEZKJSCSA-N
Formula
C21H19N5O2
Mass
373.416
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
Methylcarbamates Ketimines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Toluene - Methylcarbamate - Carbamic acid ester - Ketimine - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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