Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)C1C(C2CSCN2C11C(=O)NC2=C1C=C(C)C=C2)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=DCAZCKMMEAPQGQ-UHFFFAOYSA-N
Formula
C28H25N3O4S
Mass
499.59
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
-
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
Phenylpyrrolidines Alpha amino acids and derivatives Indolines Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Pyrrolothiazoles Nitroaromatic compounds Toluenes Gamma-amino ketones N-alkylpyrrolidines Pyrroles Thiazolidines Lactams Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Amines Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Pyrrolothiazole - Toluene - Monocyclic benzene moiety - Gamma-aminoketone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Pyrrolidine - Thiazolidine - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organic oxoazanium - Organic oxide - Organic salt - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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