Compound Identification
SMILES
COC1=C(OC)C(OCC2CN(CC3=CC=C(C=C3)N(CCC#N)CCC#N)CCO2)=C(C=C1)C(C)=O
InChIKey
InChIKey=KZTZMRCGXGETNA-UHFFFAOYSA-N
Formula
C28H34N4O5
Mass
506.603
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
Dimethoxybenzenes Acetophenones Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Phenylmethylamines Phenoxy compounds Aralkylamines Alkyl aryl ethers Morpholines Trialkylamines Dialkyl ethers Azacyclic compounds Nitriles Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Acetophenone - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Anisole - Benzoyl - Benzylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Benzenoid - Oxazinane - Monocyclic benzene moiety - Morpholine - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - 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