Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C=C(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)C=C1

InChIKey

InChIKey=NJVNELRMBBDUPT-UHFFFAOYSA-N

Formula

C21H18BrN5O

Mass

436.313

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-phenylurea - Benzopyrazole - Indazole - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Imidolactam - Pyrazole - Azole - Heteroaromatic compound - Urea - Azacycle - Organoheterocyclic compound - Primary amine - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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