Compound Identification
SMILES
CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=C(C=CC(=C1)C#N)C1=NNN=N1
InChIKey
InChIKey=LATFLKWVARBGTD-UHFFFAOYSA-N
Formula
C23H22ClN7O
Mass
447.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
-
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
Phenyltetrazoles and derivatives 1,2,4,5-tetrasubstituted imidazoles Benzonitriles N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Benzonitrile - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Tetrazole - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Alcohol - 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