Structure Information
Structure

Compound Identification

SMILES

OC(CC1CCCCC1)C(=O)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1

InChIKey

InChIKey=GRRBYPKOJKHQGZ-UHFFFAOYSA-N

Formula

C25H33N5O2

Mass

435.572

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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 - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - N-substituted imidazole - Piperazine - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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