Compound Identification
SMILES
C[NH+](CC1=C(N=NN1C1=NON=C1N)C(=O)NNC=C1C=CC(=O)C=C1)C1CCCCC1
InChIKey
InChIKey=NVRLCXSMBADBFX-UHFFFAOYSA-O
Formula
C20H26N9O3
Mass
440.487
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
Aralkylamines Cyclohexylamines Imidolactams Quaternary ammonium salts Heteroaromatic compounds Furazans Triazoles Vinylogous amides Amino acids and derivatives Carboxylic acid hydrazides Trialkylamines Oxacyclic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Cyclohexylamine - Aralkylamine - Imidolactam - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Quaternary ammonium salt - Vinylogous amide - 1,2,3-triazole - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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