Compound Identification
SMILES
NC[C@H]1C[C@@H](N)CN1C1=NC(NC2=CC=C(C=C2)C(=O)CC(=O)NC2=CC=C(SC(F)(F)F)C=C2)=NC(=N1)N1C[C@@H](N)C[C@@H](N)C1
InChIKey
InChIKey=GZQBSHWTCSJFJZ-VQQMMKBISA-N
Formula
C29H36F3N11O2S
Mass
659.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
Level 6
Aryl ketones
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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
Anilides Thiophenol ethers Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines N-arylamides Alkylarylthioethers Aminopiperidines Aminotriazines Fatty amides 1,3-dicarbonyl compounds 1,3,5-triazines Heteroaromatic compounds Pyrrolidines Secondary carboxylic acid amides Trihalomethanes Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Aryl alkyl ketone - Aniline or substituted anilines - Dialkylarylamine - 3-aminopiperidine - Amino-1,3,5-triazine - Aminotriazine - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - Piperidine - Triazine - 1,3-dicarbonyl compound - Benzenoid - 1,3,5-triazine - Fatty acyl - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Organoheterocyclic compound - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Primary aliphatic amine - Alkyl halide - Organohalogen compound - Organofluoride - Halomethane - Alkyl fluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Primary amine - 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