Compound Identification
SMILES
CC1=CC(C)=C(C=C1)C(=O)CCC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C1=CC=CC2=NNN=C12
InChIKey
InChIKey=OXLYYSAEXUBKOW-IBGZPJMESA-N
Formula
C28H26FN5O4
Mass
515.545
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
Butyrophenones Benzotriazoles m-Xylenes Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Oxazolidinones N-acyl amines Heteroaromatic compounds Carbamate esters Triazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzotriazole - Aryl alkyl ketone - M-xylene - Xylene - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - N-acyl-amine - Aryl halide - Fatty amide - Oxazolidinone - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Triazole - 1,2,3-triazole - Carbamic acid ester - Oxazolidine - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organofluoride - 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