Compound Identification
SMILES
CC1=C(OC2=NC=C(NC(=O)N3CCC4=C3C=CC=C4Br)C=C2)C=CC=N1
InChIKey
InChIKey=RGCDNHUOXKLDSY-UHFFFAOYSA-N
Formula
C20H17BrN4O2
Mass
425.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
Diarylethers Methylpyridines Benzenoids Aryl bromides Heteroaromatic compounds Ureas Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Diaryl ether - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Tertiary amine - Ether - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available