Compound Identification
SMILES
CC(C)CC(N)C1=CC(NC(N)=C1C#N)=C1C=C(C)C=CC1=O
InChIKey
InChIKey=RINYSWJJUSBFFD-UHFFFAOYSA-N
Formula
C18H22N4O
Mass
310.401
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
-
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
Dihydropyridines Vinylogous amides Ketene acetals Nitriles Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Dihydropyridine - Hydropyridine - Vinylogous amide - Ketene acetal or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Primary amine - Organic nitrogen compound - Cyanide - Aliphatic heteromonocyclic 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