Structure Information
Structure

Compound Identification

SMILES

OC1(CC(C2=CC=C(F)C=C2)=[N+]2CCCCCN12)C1=CC=C(Br)C=C1

InChIKey

InChIKey=DKBMEVCBCFHUKD-UHFFFAOYSA-N

Formula

C20H21BrFN2O

Mass

404.303

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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 - Fluorobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrazoline - Alkanolamine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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