Compound Identification
SMILES
COC1=C\C(=C\NNC(=O)C2=NNC(=C2)C23CC4CC(CC(C4)C2)C3)C=CC1=O
InChIKey
InChIKey=PREOQOBFUYLFGS-OUKQBFOZSA-N
Formula
C22H26N4O3
Mass
394.475
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
Pyrazole-5-carboxamides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazole-5-carboxamide - P-quinomethane - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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