Compound Identification
SMILES
CCOC(=O)C1=C(NCC(=O)C2=CC=C(N)C=C2)C2=C(Cl)C=C(Cl)C=C2N1
InChIKey
InChIKey=LVUPPQWJVOITMI-UHFFFAOYSA-N
Formula
C19H17Cl2N3O3
Mass
406.26
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
Indolecarboxylic acids and derivatives Indoles Pyrrole carboxylic acids and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Substituted pyrroles Aryl chlorides Vinylogous amides Alpha-amino ketones Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indolecarboxylic acid derivative - Indole or derivatives - Indole - Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Aniline or substituted anilines - Benzoyl - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alpha-aminoketone - Pyrrole - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organochloride - Organohalogen 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