Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=CC2=C1C(NCC1=NN=C(CCNC)N21)C1=CC(Br)=CC=C1

InChIKey

InChIKey=XOCTYINDEWCWQA-UHFFFAOYSA-N

Formula

C21H24BrN5O

Mass

442.361

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,4-benzodiazepine - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Ether - Secondary aliphatic amine - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

External Descriptors

Not available

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