Compound Identification
SMILES
CC1=CC(=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1)C(=O)CC#N
InChIKey
InChIKey=GFRGVNSDRGWBRO-UHFFFAOYSA-N
Formula
C22H18N6O
Mass
382.427
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
m-Xylenes Benzoyl derivatives Benzonitriles Aryl alkyl ketones Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzonitrile - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available