Structure Information
Structure

Compound Identification

SMILES

N[C@@H]1CCCN(C1)C1=NC=C(Br)C(=O)N1CC1=CC=CC=C1C#N

InChIKey

InChIKey=GGCILSXUAHLDMF-CQSZACIVSA-N

Formula

C17H18BrN5O

Mass

388.269

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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 heteromonocyclic compounds

Substituents

Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl bromide - Pyrimidine - Aryl halide - Piperidine - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organopnictogen compound - Organohalogen compound - Organobromide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

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