Compound Identification
SMILES
N#CC1=CC=C(C[N+]23CN4CN(CN(C4)C2)C3)C=C1
InChIKey
InChIKey=KKRKUWUXOGUYIL-UHFFFAOYSA-N
Formula
C14H18N5
Mass
256.332
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
Benzylamines 1,3,5-triazinanes Tetraalkylammonium salts Nitriles Azacyclic compounds Aminals Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Benzylamine - 1,3,5-triazinane - Triazinane - Tetraalkylammonium salt - Quaternary ammonium salt - Aminal - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Cyanide - Amine - Organic cation - Aromatic heteropolycyclic 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