Compound Identification
SMILES
CC1C(NC(=O)C2=CC=C(OC3=CC=CC=C3C(C)=O)S2)C2CCN1CC2
InChIKey
InChIKey=IVPHPQSVTGCQSF-UHFFFAOYSA-N
Formula
C21H24N2O3S
Mass
384.49
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 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Thiophene carboxamides Phenol ethers Phenoxy compounds Quinuclidines 2,5-disubstituted thiophenes Piperidines Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Diaryl ether - Acetophenone - 2-heteroaryl carboxamide - Benzoyl - Phenol ether - Quinuclidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Phenoxy compound - 2,5-disubstituted thiophene - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organopnictogen compound - 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