Structure Information
Structure

Compound Identification

SMILES

OC(=O)N1CCC2=C(C1)C(=NN2CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(Br)C=C1

InChIKey

InChIKey=CXCQAGSFKITVLH-UHFFFAOYSA-N

Formula

C28H31BrN6O3

Mass

579.499

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Benzimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Piperidine - Heteroaromatic compound - Imidazole - Carbamic acid - Carbamic acid derivative - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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