Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1C=NC=N1
InChIKey
InChIKey=IOSOZQTUBNCDJY-SFHVURJKSA-N
Formula
C23H22FN5O5
Mass
467.457
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
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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
Phenyl-1,2,4-triazoles Butyrophenones Benzoyl derivatives Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Oxazolidinones Aryl fluorides N-acyl amines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenyltriazole - Phenyl-1,2,4-triazole - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Aryl halide - Fatty amide - Aryl fluoride - Oxazolidinone - Heteroaromatic compound - Azole - Oxazolidine - Triazole - 1,2,4-triazole - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - 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