Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1(O)CC(C2=CC=C(Br)C=C2)=[N+]2CCCCCN12

InChIKey

InChIKey=HDLMWZGDJAHJSY-UHFFFAOYSA-N

Formula

C21H24BrN2O

Mass

400.339

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepanes

Subclass

1,2-diazepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,2-diazepanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,2-diazepane - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,2-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 2 of the diazepane ring.

External Descriptors

Not available

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