Compound Identification
SMILES
CCC(=O)C1=C(OC(=O)C2=CC=CO2)C=CC(\C=N\NC2=NC(=NC(NC3=CC=CC=C3)=N2)N2CCOCC2)=C1
InChIKey
InChIKey=TYESASOKOBRWEC-RDRPBHBLSA-N
Formula
C28H27N7O5
Mass
541.568
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
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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
Phenol esters Phenylpropanes Furoic acid esters Phenoxy compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines 1,3,5-triazines Morpholines Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ester - Furoic acid ester - Phenylpropane - Furoic acid or derivatives - Phenoxy compound - 2,4-diamine-s-triazine - Benzoyl - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Morpholine - Oxazinane - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Furan - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Hydrazone - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic 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