Compound Identification
SMILES
CC(=O)C1=CC=CC=C1C1=NC=C(C=C1)C1=NC(NC(=O)NC2=CC(=CC(=C2)N2CCOCC2)C(F)(F)F)=NC=C1
InChIKey
InChIKey=NGBOQLIIVBYICP-UHFFFAOYSA-N
Formula
C29H25F3N6O3
Mass
562.553
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
Pyridinylpyrimidines Phenylpyridines Phenylmorpholines Trifluoromethylbenzenes N-phenylureas Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Alkyl fluorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylmorpholine - 2-phenylpyridine - Pyridinylpyrimidine - Trifluoromethylbenzene - N-phenylurea - Acetophenone - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Urea - Tertiary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Amine - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Alkyl halide - 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