Compound Identification
SMILES
COC(=O)C1=CN(C)C(CC(=O)C2=CC3=CC=CC=C3N2)C(=C1)C(=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=KKWOBTXELBFVHJ-UHFFFAOYSA-N
Formula
C20H17Cl3N2O4
Mass
455.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Aryl alkyl ketones Substituted pyrroles Benzenoids Beta-amino ketones Vinylogous amides Alpha-chloroketones Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Amino acids and derivatives Allylamines Monocarboxylic acids and derivatives Azacyclic compounds Enamines Alkyl chlorides Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Indole - Aryl ketone - Aryl alkyl ketone - Dihydropyridine - Beta-aminoketone - Hydropyridine - Substituted pyrrole - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Ketone - Allylamine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Enamine - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organochloride - Organonitrogen compound - Alkyl chloride - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available