Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](F)C1=C(Cl)C(=CC(=C1)N1CCN(CCO)CC1)C1=CC=CC=C1C#N

InChIKey

InChIKey=LMCUXPONCFEPAF-OAQYLSRUSA-N

Formula

C22H25ClFN3O

Mass

401.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Biphenylcarbonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Biphenylcarbonitrile - Chlorinated biphenyl - N-arylpiperazine - Phenylpiperazine - Phenylpropane - Benzonitrile - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkanolamine - Nitrile - Carbonitrile - Primary alcohol - Organohalogen compound - Alcohol - Organochloride - Organofluoride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.

External Descriptors

Not available

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