Compound Identification
SMILES
COC(=O)[C@H](CC1CCCN(C1)C(N)=N)C(C)NC(=O)C1=CC=C(C=C1)C1=CN=CN1
InChIKey
InChIKey=HHDFAKFITPUJHB-JTTJXQCZSA-N
Formula
C22H30N6O3
Mass
426.521
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Beta amino acids and derivatives Benzamides Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Fatty acid esters Piperidines Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Imines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 4-phenylimidazole - 5-phenylimidazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Carboximidamide - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Imine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available