Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C1CCN(CC1)C1CCN(CC#N)C1=O
InChIKey
InChIKey=JIQJKIISVMSMDG-UHFFFAOYSA-N
Formula
C19H23N3O3
Mass
341.411
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
Alpha amino acids and derivatives Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-alkylpyrrolidines Gamma-amino ketones Piperidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Trialkylamines Lactams Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Aryl alkyl ketone - Methoxybenzene - Benzoyl - Alkyl aryl ether - Gamma-aminoketone - Piperidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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