Compound Identification
SMILES
CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N1CCN(CCN2CN(C3=CC=CC=C3)C3(CCN(CCCC(=O)C4=CC=C(F)C=C4)CC3)C2=O)CC1
InChIKey
InChIKey=ZPKRGBYRRVNVLB-UHFFFAOYSA-N
Formula
C44H46FN7O2
Mass
723.897
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
N-arylpiperazines Phenylimidazolidines Phenylbutylamines Butyrophenones Alpha amino acids and derivatives Azaspirodecane derivatives Naphthalenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines N-alkylpiperazines Fluorobenzenes Piperidines Aryl fluorides Imidazolidinones Gamma-amino ketones Tertiary carboxylic acid amides Lactams Trialkylamines Nitriles Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Butyrophenone - Phenylbutylamine - Phenylimidazolidine - Alpha-amino acid or derivatives - Naphthalene - Azaspirodecane - Benzoyl - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl alkyl ketone - Halobenzene - Fluorobenzene - N-alkylpiperazine - 1,4-diazinane - Piperidine - Piperazine - Aryl halide - Gamma-aminoketone - Imidazolidinone - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Imidazolidine - Lactam - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic 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