Structure Information
Structure

Compound Identification

SMILES

CCN1CC=C2[C@H](C1)[C@@H](C1=CC=C(OC)C=C1)C(C#N)(C#N)C(N)=C2C#N

InChIKey

InChIKey=JPLYJWOJPPJXTE-RBUKOAKNSA-N

Formula

C21H21N5O

Mass

359.433

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Phenoxy compounds Methoxybenzenes Aralkylamines Alkyl aryl ethers Trialkylamines Nitriles Enamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Enamine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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