Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)CN1C=NC2=C(N(CC=C(Cl)Cl)C(N3CCC[C@H](N)C3)=C2C#N)C1=O
InChIKey
InChIKey=OLJQBDUKCIOPSC-INIZCTEOSA-N
Formula
C24H24Cl2N6O3
Mass
515.4
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
Pyrrolopyrimidines Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Pyrimidones Aminopiperidines Substituted pyrroles Heteroaromatic compounds Lactams Ketene acetals Vinyl chlorides Chloroalkenes Azacyclic compounds Nitriles Monoalkylamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyrrolopyrimidine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Dialkylarylamine - Alkyl aryl ether - 3-aminopiperidine - Pyrimidone - Monocyclic benzene moiety - Substituted pyrrole - Pyrimidine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary amine - Ketene acetal or derivatives - Lactam - Azacycle - Ether - Chloroalkene - Haloalkene - Carbonitrile - Nitrile - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Cyanide - 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