Compound Identification
SMILES
O=C1C=CC(C=C1)=C1NC=C2C(=NN=C(N3CCOCC3)C2=C1)N1CCOCC1
InChIKey
InChIKey=SBVVOJRQTPCGRQ-UHFFFAOYSA-N
Formula
C21H23N5O3
Mass
393.447
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 P-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
P-quinomethanes
Alternative Parents
Dialkylarylamines Aminopyridazines Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Enamines Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-quinomethane - Dialkylarylamine - Aminopyridazine - Morpholine - Oxazinane - Pyridazine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available