Compound Identification
SMILES
COC1=C(OC2=NC(C)=NC(=N2)N2CCCCC2)C(Br)=CC(=C1)C(C)=O
InChIKey
InChIKey=GORJSTWAOUYXRE-UHFFFAOYSA-N
Formula
C18H21BrN4O3
Mass
421.295
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
-
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 Methoxybenzenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminotriazines Bromobenzenes Aryl bromides Piperidines 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Diaryl ether - Acetophenone - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - 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 - Triazine - Piperidine - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen 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