Compound Identification
SMILES
CCCCCCCCCCCCCOC1=CC(=O)C(C=C1)=C1N=C2NC2=N1
InChIKey
InChIKey=FPXNVQBVLVQUSC-UHFFFAOYSA-N
Formula
C22H31N3O2
Mass
369.509
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
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
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 - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Imidolactams 1,3,5-triazines Vinylogous esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Aziridines Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
O-quinomethane - Triazine - Imidolactam - 1,3,5-triazine - Vinylogous ester - Ketene acetal or derivatives - Amidine - Aziridine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available