Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)CC(CCC(=O)NC1=C(Cl)C=C(Cl)C=C1)=NNC1=NN=C(C)N1N
InChIKey
InChIKey=LDSAQOQBACXQAQ-UHFFFAOYSA-N
Formula
C22H23Cl2N7O4
Mass
520.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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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
Butyrophenones Methoxyphenols Anilides Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl chlorides Fatty amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Hydrazones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Anilide - Phenol ether - N-arylamide - Benzoyl - Aryl alkyl ketone - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Fatty amide - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrazone - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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