Compound Identification
SMILES
CC1=CC=CC=C1C(=O)C1(CCC2=CC(N3CCOCC3)=C(F)C=C2)NC(=C(S1)C(N)=O)C(F)(F)F
InChIKey
InChIKey=QHKXLOVYEMVNOQ-UHFFFAOYSA-N
Formula
C25H25F4N3O3S
Mass
523.55
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
Phenylmorpholines Butyrophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Thiazolecarboxylic acids and derivatives Toluenes Fluorobenzenes Aryl fluorides Thiazolines Vinylogous amides Thioenol ethers Primary carboxylic acid amides Amino acids and derivatives Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Enamines Dialkyl ethers Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylmorpholine - Butyrophenone - Benzoyl - Tertiary aliphatic/aromatic amine - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Vinylogous amide - Meta-thiazoline - Thiazole - Amino acid or derivatives - Thioenolether - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Organoheterocyclic compound - Hemithioaminal - Oxacycle - Ether - Enamine - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organofluoride - 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