Compound Identification
SMILES
CC(O)N1CCN(CC1)C1=CC=C(NC2=NC(N)=C(S2)C(=O)C2=CC(O)=CC=C2)C=C1
InChIKey
InChIKey=CNZTXHUJGWEFIL-UHFFFAOYSA-N
Formula
C22H25N5O3S
Mass
439.53
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
N-arylpiperazines Phenylpiperazines 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Imidolactams 2-amino-1,3-thiazoles Heteroaromatic compounds Vinylogous amides Hemiaminals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Phenylpiperazine - N-arylpiperazine - 2,4,5-trisubstituted 1,3-thiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - 1,4-diazinane - Imidolactam - Benzenoid - 1,3-thiazolamine - Piperazine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Vinylogous amide - Thiazole - Azole - Heteroaromatic compound - Hemiaminal - Tertiary amine - Organoheterocyclic compound - Azacycle - Alkanolamine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Primary amine - Aromatic heteromonocyclic 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