Compound Identification
SMILES
CC(C)N1CC=C2[C@H](C1)[C@@H](C1=CC=C(C=C1)C#N)C(Br)=C(N)C2(C#N)C#N
InChIKey
InChIKey=UUBHLAIHZMVPPW-FUHWJXTLSA-N
Formula
C21H20BrN5
Mass
422.33
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
Aralkylamines Trialkylamines Vinyl bromides Nitriles Enamines Bromoalkenes Azacyclic compounds Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Aralkylamine - Tertiary amine - Tertiary aliphatic amine - Bromoalkene - Haloalkene - Azacycle - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Primary amine - Amine - Primary aliphatic amine - Organic nitrogen compound - Cyanide - 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