Compound Identification
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C1=CC=NC=C1
InChIKey
InChIKey=DTCVUPHIYXAZDP-ONEGZZNKSA-N
Formula
C27H21N7
Mass
443.514
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 Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - M-xylene - Xylene - Styrene - Aniline or substituted anilines - Aminopyrimidine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Cyanide - 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