Compound Identification
SMILES
ClC1=CC=C(NC(=O)NC2=NN=C3N=C(C(C(=O)C4=C(Cl)C=C(Cl)C=C4)C4=NC5=NN=C(NC(=O)NC6=CC=C(Cl)C=C6)N5NC4=O)C(=O)NN23)C=C1
InChIKey
InChIKey=KCXQUSTYNNYSBH-UHFFFAOYSA-N
Formula
C30H18Cl4N14O5
Mass
796.37
Taxonomic Classification
Taxonomy Tree
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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
N-phenylureas Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes 1,2,4-triazines Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-phenylurea - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Azole - Heteroaromatic compound - 1,2,4-triazole - Vinylogous halide - Lactam - Urea - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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