Compound Identification
SMILES
N#CCC1=C(C=C(C=C1)C1=NC2=CC=CC=C2O1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=KQQVLQOTMHBQQI-UHFFFAOYSA-N
Formula
C22H13N3O
Mass
335.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Phenyl-1,3-oxazoles Benzyl cyanides Benzoxazoles Benzonitriles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Phenyl-1,3-oxazole - Benzoxazole - Benzyl-cyanide - Benzonitrile - Azole - Oxazole - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen 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