Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)C(=O)C1=CC2=C(S1)N(CCN1CCOCC1)C(C)=C2
InChIKey
InChIKey=YIHGEGYPFZMEER-UHFFFAOYSA-N
Formula
C21H23ClN2O3S
Mass
418.94
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Thiophene carboxylic acids and derivatives Thienopyrroles Phenoxy compounds 2,3,5-trisubstituted thiophenes Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Morpholines Aryl chlorides Heteroaromatic compounds Azoles Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Phenol ether - Phenoxy compound - Anisole - Thienopyrrole - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Substituted pyrrole - Morpholine - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Oxazinane - Heteroaromatic compound - Azole - Thiophene - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organohalogen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available