Compound Identification
SMILES
CSCCC1NC2(C(C1C1=CC=CC=C1)C(=O)C1=CC=CC=C1)C(=O)NC1=C2C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OBTFOFHPAILXOY-UHFFFAOYSA-N
Formula
C27H25N3O4S
Mass
487.57
Taxonomic Classification
Taxonomy Tree
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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
Alpha amino acid amides Phenylpyrrolidines Indolines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aralkylamines Beta-amino ketones Gamma-amino ketones Pyrroles Secondary carboxylic acid amides Lactams Organic oxoazanium compounds Dialkylthioethers Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Gamma-aminoketone - Benzenoid - Pyrrole - Pyrrolidine - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary aliphatic amine - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen 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