Compound Identification
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC(CN2C=CN=C2)=C1
InChIKey
InChIKey=QAXRJHCTONXZQO-ONEGZZNKSA-N
Formula
C26H22N8
Mass
446.518
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
m-Xylenes Styrenes Aniline and substituted anilines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-xylene - Xylene - Benzonitrile - Aniline or substituted anilines - Styrene - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Secondary amine - Amine - Organic nitrogen compound - Cyanide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available