Compound Identification
SMILES
NC1=NC2=C(CC3=C(N(CC4=CC=C(Cl)C=C4)C4=CC=CC=C34)C(=O)N2)C(N)=N1
InChIKey
InChIKey=IBMDVCKQLRMOIQ-UHFFFAOYSA-N
Formula
C21H17ClN6O
Mass
404.86
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
Pyrroloazepines 3-alkylindoles N-alkylindoles 2-heteroaryl carboxamides Aminopyrimidines and derivatives Azepines Chlorobenzenes Substituted pyrroles Aryl chlorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Primary amines Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Pyrroloazepine - 3-alkylindole - N-alkylindole - Indole - 2-heteroaryl carboxamide - Aminopyrimidine - Halobenzene - Chlorobenzene - Azepine - Benzenoid - Aryl halide - Substituted pyrrole - Aryl chloride - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen 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