Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)N(CCC#N)CC1=CN=CC=C1
InChIKey
InChIKey=MUYDKYMAZKDUNC-UHFFFAOYSA-N
Formula
C29H31N5O4S
Mass
545.66
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
Butyrophenones N-acylpiperidines Thiazolecarboxamides Phenoxy compounds Methoxybenzenes 2-heteroaryl carboxamides Benzoyl derivatives Aryl alkyl ketones Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - N-acyl-piperidine - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Nitrile - Organoheterocyclic compound - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - 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