Compound Identification
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC(CNCCC2=CC=CC=N2)=C1
InChIKey
InChIKey=ODAUOFYGOBONHZ-AATRIKPKSA-N
Formula
C30H28N8
Mass
500.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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 Aralkylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Heteroaromatic compounds Nitriles Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - M-xylene - Xylene - Aniline or substituted anilines - Styrene - Aminopyrimidine - Aralkylamine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Amine - Organic nitrogen compound - 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