Structure Information
Structure

Compound Identification

SMILES

CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N1CCN(CCN2CN(C3=CC=CC=C3)C3(CCN(CCCC(=O)C4=CC=C(F)C=C4)CC3)C2=O)CC1

InChIKey

InChIKey=ZPKRGBYRRVNVLB-UHFFFAOYSA-N

Formula

C44H46FN7O2

Mass

723.897

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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 - N-arylpiperazine - Butyrophenone - Phenylbutylamine - Phenylimidazolidine - Alpha-amino acid or derivatives - Naphthalene - Azaspirodecane - Benzoyl - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl alkyl ketone - Halobenzene - Fluorobenzene - N-alkylpiperazine - 1,4-diazinane - Piperidine - Piperazine - Aryl halide - Gamma-aminoketone - Imidazolidinone - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Imidazolidine - Lactam - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Cyanide - Organic oxide - 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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