Compound Identification
SMILES
FC1=CN=C(NC2=CC=CC(=C2)C#N)N=C1NC1=CC=CC(=C1)C#N
InChIKey
InChIKey=CTNLWPPHXCBEFQ-UHFFFAOYSA-N
Formula
C18H11FN6
Mass
330.326
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
Aniline and substituted anilines Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Imidolactam - Pyrimidine - Aryl halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - 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