Compound Identification
SMILES
CCOC1=C(C=C(C=C1)C(=O)CBr)C1=NC(=O)C2=C(C)N=C(C3CCCCCC3)N2N1
InChIKey
InChIKey=YSFOUCSXBFLMCA-UHFFFAOYSA-N
Formula
C23H27BrN4O3
Mass
487.398
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
Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers N-substituted imidazoles 1,2,4-triazines Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Alkyl aryl ether - 1,2,4-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - N-substituted imidazole - Alpha-haloketone - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - 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