Structure Information
Structure

Compound Identification

SMILES

CO\N=C1\C[C@H]2OC3=C4C(CN(CCCSC)[C@H](CO)CC24C=C1)=CC(OCC1=CC(=CC=C1)[N+]([O-])=O)=C3Br

InChIKey

InChIKey=AICWUWOYGIMJGB-BOQJHKDQSA-N

Formula

C28H32BrN3O6S

Mass

618.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzazepine - Coumaran - Nitrobenzene - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - C-nitro compound - Oxime ether - Organic nitro compound - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Ether - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Organohalogen compound - Amine - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Organic zwitterion - Alcohol - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).

External Descriptors

Not available

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