Compound Identification
SMILES
CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C#N)C2=NC(NCC([O-])=O)=NN2C(C)=N1
InChIKey
InChIKey=LJKMORJYUSOHSH-UHFFFAOYSA-M
Formula
C25H23N6O2
Mass
439.5
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
Alpha amino acids and derivatives Triazolopyrimidines Benzonitriles Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Amines Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Alpha-amino acid or derivatives - Triazolopyrimidine - Benzonitrile - Pyrimidine - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic anion - 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