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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Chlorinated biphenyls Phenylpiperazines N-arylpiperazines Phenylpropanes Aniline and substituted anilines Dialkylarylamines Benzonitriles N-alkylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines 1,2-aminoalcohols Nitriles Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Alkyl fluorides Primary alcohols
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