Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C1CCN(CC1)C(=O)C(C)(C)CNC1=NC2=C(N=NN2C)C(=O)N1
InChIKey
InChIKey=YHZDUUFUTLEUNJ-UHFFFAOYSA-N
Formula
C23H29N7O4
Mass
467.53
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 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
Beta amino acids and derivatives Triazolopyrimidines N-acylpiperidines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Alkyl aryl ethers Vinylogous amides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Beta amino acid or derivatives - Triazolopyrimidine - N-acyl-piperidine - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Anisole - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - 1,2,3-triazole - Triazole - Tertiary carboxylic acid amide - Azole - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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