Structure Information
Structure

Compound Identification

SMILES

CN1CC=C2[C@H](C1)[C@@H](C1=CC=C(OCC(N)=O)C=C1)C(C#N)(C#N)C(N)=C2C#N

InChIKey

InChIKey=DKKWBVZJPMHMMX-PKOBYXMFSA-N

Formula

C21H20N6O2

Mass

388.431

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol ethers

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Enamine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

External Descriptors

Not available

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