Structure Information
Structure

Compound Identification

SMILES

ClCCN(CCCl)C1=CC=C(CN2CCCN(CC3=CC=C(C=C3)N(CCCl)CCCl)C2C2=CC=C(C=C2)C#N)C=C1

InChIKey

InChIKey=VGFNCOOTAVCTLD-UHFFFAOYSA-N

Formula

C33H39Cl4N5

Mass

647.51

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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 - Benzylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 1,3-diazinane - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl chloride - Alkyl halide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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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