Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(CCCN1CCC(CC1)C(=O)C1=C(C)C=C(C)C=C1C)(C#N)C(C)C
InChIKey
InChIKey=VNBHWIMSWCEEHF-UHFFFAOYSA-N
Formula
C31H42N2O3
Mass
490.688
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 Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Piperidines Gamma-amino ketones Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylbutylamine - O-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Cyanide - 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