Compound Identification
SMILES
CCCC1=C(C(N2NC=NC2=N1)C1=C(O)C=CC2=CC=CC=C12)C(=O)OCC
InChIKey
InChIKey=XJBBABOOXWQUPC-UHFFFAOYSA-N
Formula
C21H22N4O3
Mass
378.432
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Naphthols and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthols and derivatives
Alternative Parents
Triazolopyrimidines 1-hydroxy-2-unsubstituted benzenoids Hydropyrimidines Triazolines Enoate esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Formamidines Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthol - Triazolopyrimidine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid amidrazone - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Formamidine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Monocarboxylic acid or derivatives - Organic oxygen compound - Imine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
External Descriptors
Not available