Compound Identification
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(C(=O)OC)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=KSXLHOFDCDKQLH-WNWXXORZSA-N
Formula
C25H21N3O3
Mass
416.492
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
Benzimidazoles Benzonitriles Alkyl aryl ethers N-substituted imidazoles Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Benzimidazole - Benzonitrile - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic 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