Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCN(CC3=CC=C(NC4=NC=CC=N4)C=C3)C(=O)C2=O)C=C1
InChIKey
InChIKey=HLKVCYLOIPGPJV-UHFFFAOYSA-N
Formula
C24H23N5O4
Mass
445.479
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Alpha amino acids and derivatives Dioxopiperazines Benzoyl derivatives Aniline and substituted anilines N-alkylpiperazines Aminopyrimidines and derivatives Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Dioxopiperazine - Aminopyrimidine - N-alkylpiperazine - 1,4-diazinane - Pyrimidine - Piperazine - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available