Structure Information
Structure

Compound Identification

SMILES

CCC1C(C)CNC2=CC(=O)CC3=C2N1C(Br)=N3

InChIKey

InChIKey=GUPUMXBCIDCHJH-UHFFFAOYSA-N

Formula

C13H16BrN3O

Mass

310.195

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepines

Subclass

1,4-diazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-diazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Para-diazepine - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Cyclic ketone - Ketone - Azacycle - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.

External Descriptors

Not available

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