Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CN=C1)C(N1CCCNCC1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=LISGGBMBEXIUIS-UHFFFAOYSA-N

Formula

C18H22BrN3

Mass

360.299

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepanes

Subclass

1,4-diazepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-diazepanes

Alternative Parents

Methylpyridines Bromobenzenes Aralkylamines Aryl bromides Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,4-diazepane - Methylpyridine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.

External Descriptors

Not available

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