Compound Identification
SMILES
COC1=C(OC2=NC(C)=NC(=N2)N2CCOCC2)C(Br)=CC(=C1)C(C)=O
InChIKey
InChIKey=BEYZAKMAFVDKOI-UHFFFAOYSA-N
Formula
C17H19BrN4O4
Mass
423.267
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
Diarylethers Acetophenones Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Methoxybenzenes Bromobenzenes Aminotriazines Alkyl aryl ethers 1,3,5-triazines Aryl bromides Morpholines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Diaryl ether - Acetophenone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Dialkylarylamine - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Morpholine - Oxazinane - Triazine - Heteroaromatic compound - Organoheterocyclic compound - Dialkyl ether - Azacycle - Ether - Oxacycle - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - 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