Compound Identification
SMILES
COC1=C(OC)C=C2[C@@H]3[C@H](C#N)[C@@H](C#N)[C@@H](N3CCC2=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=PVRXUIAFWVCCEV-MCEIDBOGSA-N
Formula
C23H21N3O3
Mass
387.439
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
Tetrahydroisoquinolines Benzoyl derivatives Aryl alkyl ketones Anisoles Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Alpha-amino ketones Trialkylamines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Tetrahydroisoquinoline - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Alpha-aminoketone - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Cyanide - 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