Compound Identification
SMILES
CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCN(CC(=O)C2=CC=C(OCC(O)CO)C=C2)CC1
InChIKey
InChIKey=FNICRDZBUMUHHI-UHFFFAOYSA-N
Formula
C25H29N5O7
Mass
511.535
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
N-arylpiperazines Pyrido[2,3-d]pyrimidines Pyridinecarboxylic acids Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Phenol ethers Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Alpha-amino ketones 1,2-diols Amino acids Trialkylamines Secondary alcohols Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Dialkylarylamine - Aryl alkyl ketone - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha-aminoketone - Amino acid or derivatives - 1,2-diol - Amino acid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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