Compound Identification
SMILES
CN1N=C(C=C1C1=CC=C(S1)C(=O)N1CCN(CCC(=O)C2=CC=C(C=C2)[N+]([O-])=O)CC1)C(F)(F)F
InChIKey
InChIKey=MURHZOKJFQHFCT-UHFFFAOYSA-N
Formula
C23H22F3N5O4S
Mass
521.52
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
-
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
Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes N-alkylpiperazines Beta-amino ketones Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic salts Organic zwitterions Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Benzoyl - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Nitroaromatic compound - N-alkylpiperazine - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Piperazine - Benzenoid - Azole - Pyrazole - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic salt - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organic oxide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic zwitterion - 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