Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)C1C(C2CSCN2C11C(=O)NC2=C1C=C(C)C=C2)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=DCAZCKMMEAPQGQ-UHFFFAOYSA-N

Formula

C28H25N3O4S

Mass

499.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Pyrrolothiazole - Toluene - Monocyclic benzene moiety - Gamma-aminoketone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Pyrrolidine - Thiazolidine - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organic oxoazanium - Organic oxide - Organic salt - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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