Compound Identification
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC1=C\C(NC(NC2=CC=C(C=C2)C#N)=N1)=C\N=O
InChIKey
InChIKey=HKYOKERJAHHLOY-BZDSAVIRSA-N
Formula
C23H19N7O
Mass
409.453
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 Hydropyrimidines Ketene acetals Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides C-nitroso compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Styrene - Aniline or substituted anilines - Xylene - M-xylene - Hydropyrimidine - 1,6-dihydropyrimidine - Guanidine - Ketene acetal or derivatives - Organic nitroso compound - C-nitroso compound - Azacycle - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Cyanide - Organic oxygen 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