Structure Information
Structure

Compound Identification

SMILES

COC1=C(CN2CCCC2)C=CC(=C1)C(=O)C1=C(SC2=C1C=CC(OCC1=CC=CC=C1)=C2)C1=CN=C(OCCN2CCCC2)C=C1

InChIKey

InChIKey=XIQJVIAKLWJHRB-UHFFFAOYSA-N

Formula

C39H41N3O4S

Mass

647.83

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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

Aryl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - Benzylamine - Methoxybenzene - Benzoyl - Phenol ether - Phenylmethylamine - Phenoxy compound - Anisole - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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