Compound Identification
SMILES
CCCC1=C(CC2=CC=C(C=C2)C2=CC=CC=C2C#N)C(=O)N(C(C)=N1)C1=CC2=C(OC(C)(C)CC2=O)C=C1
InChIKey
InChIKey=GMTQXIWEPWBHIP-UHFFFAOYSA-N
Formula
C33H31N3O3
Mass
517.629
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
2,2-dimethyl-1-benzopyrans Chromones Benzonitriles Aryl alkyl ketones Pyrimidones Alkyl aryl ethers Hydropyrimidines Heteroaromatic compounds Lactams Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - 2,2-dimethyl-1-benzopyran - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzonitrile - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Ketone - Lactam - Oxacycle - Ether - Azacycle - 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