Compound Identification
SMILES
Cl.COC1=C(OC)C=C(C=C1)C(CCCN1CCC(CC1)C(=O)C1=CC=C(F)C=C1)(C#N)C(C)C
InChIKey
InChIKey=HBHWBMFBMRYSGM-UHFFFAOYSA-N
Formula
C28H36ClFN2O3
Mass
503.06
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
Phenylbutylamines Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Aralkylamines Fluorobenzenes Piperidines Aryl fluorides Gamma-amino ketones Trialkylamines Nitriles Azacyclic compounds Hydrochlorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylbutylamine - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Phenol ether - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Aralkylamine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Gamma-aminoketone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Amine - Hydrochloride - Cyanide - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen 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