Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=O)[C@@H]2[C@H]3C=C(C=CN3[C@@H]([C@@H]2C1=O)C(=O)C1=CC=CC=C1)C#N
InChIKey
InChIKey=QXAZVKPNPDQSMN-YSFYHYPLSA-N
Formula
C25H19N3O3
Mass
409.445
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
Phenylpyrrolidines Aryl alkyl ketones Benzoyl derivatives Toluenes Dihydropyridines Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Alpha-amino ketones Trialkylamines Amino acids and derivatives Lactams Enamines Allylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Benzoyl - Aryl alkyl ketone - Dihydropyridine - Toluene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Alpha-aminoketone - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Amino acid or derivatives - Organoheterocyclic compound - Nitrile - Carbonitrile - Allylamine - Enamine - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Cyanide - Organic nitrogen compound - Organic oxide - Organonitrogen 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