Structure Information
Structure

Compound Identification

SMILES

CCCCOC1(OCCCC)N=C(N)C2(C#N)C(C3=CC(Br)=C(OC)C=C3)C12C#N

InChIKey

InChIKey=PMRQOHQSNRWSEF-UHFFFAOYSA-N

Formula

C22H27BrN4O3

Mass

475.387

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Phenoxy compounds Methoxybenzenes Tetrahydropyridines Alkyl aryl ethers Bromobenzenes Aryl bromides Imidolactams Pyrrolines Orthocarboxylic acid derivatives Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Amines Hydrocarbon derivatives Organobromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Tetrahydropyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrroline - Orthocarboxylic acid derivative - Carboximidamide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Nitrile - Carbonitrile - Carboxylic acid amidine - Ether - Organooxygen compound - Hydrocarbon derivative - Cyanide - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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