Compound Identification
SMILES
CCCC1=C(OCC2=CC=CC(=C2)C2=NN(CCCC3=CN=CC=C3)N=N2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=DIRHODVXZUXGTN-UHFFFAOYSA-N
Formula
C27H29N5O3
Mass
471.561
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
Phenyltetrazoles and derivatives Phenylpropanes Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltetrazole - Acetophenone - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Vinylogous acid - Tetrazole - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - 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