Compound Identification
SMILES
CNC1=CC=CC(NC(=O)CN2N=C(C3=CC=CC=N3)C3=CC=CC=C3N(CC(=O)C3=CC=CC=C3C)C2=O)=C1
InChIKey
InChIKey=QRKQBWJQWKMSFV-UHFFFAOYSA-N
Formula
C31H28N6O3
Mass
532.604
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
Alpha amino acids and derivatives Anilides Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines N-arylamides Toluenes Secondary alkylarylamines Pyridines and derivatives Semicarbazones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Anilide - Benzoyl - N-arylamide - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Pyridine - Semicarbazone - Benzenoid - Semicarbazide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - 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