Compound Identification
SMILES
CCOC(=O)C(CCC(NC1=CC=CC=C1C#N)=NC(C)(C)C)(CCC(NC1=CC=CC=C1C#N)=NC(C)(C)C)C#N
InChIKey
InChIKey=BALXPSLDZCGDNG-UHFFFAOYSA-N
Formula
C33H41N7O2
Mass
567.738
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Carboxamidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available