Structure Information
Structure

Compound Identification

SMILES

CC#Cc1c(Cc2ccccc2C#N)[nH]c(nc1=O)N1CCC[C@@H](N)C1

InChIKey

InChIKey=FYHRQLCVIGUOOW-MRXNPFEDSA-N

Formula

C20H21N5O

Mass

347.422

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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

Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Aminopiperidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Piperidine - Heteroaromatic compound - Vinylogous amide - Carbonitrile - Azacycle - Organoheterocyclic compound - Nitrile - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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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