Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=NNC(=O)COC2=C(C#N)C(COC)=CC(C)=N2)C=C1

InChIKey

InChIKey=YZPKBCBLKUUMCK-UHFFFAOYSA-N

Formula

C22H27N5O3

Mass

409.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

3-pyridinecarbonitriles

Intermediate Tree Nodes

Not available

Direct Parent

3-pyridinecarbonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tertiary aliphatic/aromatic amine - 3-pyridinecarbonitrile - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.

External Descriptors

Not available

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