Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

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

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