Structure Information
Structure

Compound Identification

SMILES

CCN1CCN(CC2=CC3=C(OC4=NC=NC(NC5=C(F)C=C(Br)C=C5)=C4N=C3)C=C2)CC1

InChIKey

InChIKey=HRCGZRULSDJXII-UHFFFAOYSA-N

Formula

C24H24BrFN6O

Mass

511.399

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diaryl ether - Benzoxazepine - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - N-alkylpiperazine - Bromobenzene - Aralkylamine - Aryl bromide - Aryl fluoride - 1,4-diazinane - Imidolactam - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Piperazine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organofluoride - Organobromide - Imine - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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