Compound Identification
SMILES
COC1=CC=CC=C1N1CCN(CC1)C1=CC(=CC(C)=C1C#N)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HLZUQUUBOUTDKM-UHFFFAOYSA-N
Formula
C25H24ClN3O
Mass
417.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Aminophenyl ethers Methoxyanilines Phenoxy compounds Aminotoluenes Anisoles Benzonitriles Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Chlorinated biphenyl - Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Benzonitrile - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Methoxybenzene - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Piperazine - Aryl halide - 1,4-diazinane - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Amine - 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