Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C)NC(=O)C(N(C)C)=C1CNC1=CC=C(C=C1)C#N

InChIKey

InChIKey=SQSWLMMLUBUDNN-UHFFFAOYSA-N

Formula

C18H22N4O

Mass

310.401

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Dihydropyridine - Methylpyridine - Aralkylamine - Pyridinone - Secondary aliphatic/aromatic amine - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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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