Compound Identification
SMILES
CC1=CC=C(NC2=NN\C(N2C2=CC=CC=C2)=C2\C=CC=CC2=O)C=C1
InChIKey
InChIKey=GJDHBMWCZOGYRM-CZIZESTLSA-N
Formula
C21H18N4O
Mass
342.402
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
Aniline and substituted anilines Toluenes Vinylogous amides Triazolines Ketene acetals Guanidines Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Benzenoid - Triazoline - Vinylogous amide - Guanidine - Ketene acetal or derivatives - Hydrazone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aromatic 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