Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)CN1C(=O)N(C)C2=C(N(CC#CC)C(=N2)N2CCC[C@@H](N)C2)C1=O
InChIKey
InChIKey=VBCFISGURKYJCR-QGZVFWFLSA-N
Formula
C24H28N6O4
Mass
464.526
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
Xanthines 6-oxopurines Alkaloids and derivatives Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzoyl derivatives Anisoles Aryl alkyl ketones Pyrimidones Aminopiperidines Alkyl aryl ethers Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Dialkylarylamine - Methoxybenzene - Pyrimidone - 3-aminopiperidine - Alkyl aryl ether - Pyrimidine - Benzenoid - Piperidine - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Lactam - Ether - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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