Compound Identification
SMILES
CC1=CC(NC(=O)NC2N=C(C3=CC=CC=N3)C3=CC=CC=C3N(CC(=O)C3=CC=CC=C3C)C2=O)=CC=C1
InChIKey
InChIKey=BNIXNHYHBPXENI-UHFFFAOYSA-N
Formula
C31H27N5O3
Mass
517.589
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
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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
1,4-benzodiazepines Alpha amino acids and derivatives N-phenylureas Aryl alkyl ketones Benzoyl derivatives Toluenes Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Ketimines Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Urea - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Imine - Hydrocarbon derivative - 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