Compound Identification
SMILES
CCOC1=NN(CC2=C(C=CC(=C2)C(F)(F)F)C(=O)C2C(=O)CCCC2=O)C(=O)N1C
InChIKey
InChIKey=XWXRCBIHTVTRLI-UHFFFAOYSA-N
Formula
C20H20F3N3O5
Mass
439.391
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
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Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
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Level 8
Alkyl-phenylketones
- Level 9 Benzoylcyclohexane-1,3-diones
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Level 8
Alkyl-phenylketones
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Level 7
Phenylketones
-
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 - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Beta-diketones Alkyl aryl ethers Triazoles Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Trifluoromethylbenzene - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Cyclic ketone - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors
Not available