Compound Identification
SMILES
CC(=O)C1=CC(=CC=C1)N1C(N)=C(C#N)C2=NC3=CC=CC=C3N=C12
InChIKey
InChIKey=JFPSDFRUQPWEHI-UHFFFAOYSA-N
Formula
C19H13N5O
Mass
327.347
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
Phenylpyrroles Quinoxalines Pyrrolopyrazines Acetophenones Benzoyl derivatives Aryl alkyl ketones Pyrazines Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrole - Diazanaphthalene - Quinoxaline - Acetophenone - Pyrrolopyrazine - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Pyrazine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic 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