Compound Identification
SMILES
CCOC(=O)C1[C@@H]([C@H]2C(=O)CC(C)(C)C=C2N=C1C)C1=C(C)N(C)C(=C1)C#N
InChIKey
InChIKey=YLXBYHNEZSPLNG-NRRUETGQSA-N
Formula
C22H27N3O3
Mass
381.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
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Level 6
Cyclic 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 - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Tetrahydropyridines N-methylpyrroles Heteroaromatic compounds Ketimines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - Tetrahydropyridine - N-methylpyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Ketimine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Imine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available