Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SYSMEPKWADLCTQ-MJGOQNOKSA-N

Formula

C22H21N5O2

Mass

387.443

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzoyl - Aralkylamine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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