Structure Information
Structure

Compound Identification

SMILES

CN1CCN=C(\C=C\C2=C(SCC3=CC=CC=C3)C=CC(=C2)[N+]([O-])=O)C2=C1C=C(F)C=C2

InChIKey

InChIKey=NYRMSRIFGYJGNO-YRNVUSSQSA-N

Formula

C25H22FN3O2S

Mass

447.53

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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 - Nitrobenzene - Styrene - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Organic nitro compound - Ketimine - C-nitro compound - Tertiary amine - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Imine - Amine - Organic cation - 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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