Compound Identification
SMILES
CN1C(=CC(=O)COC(=O)CC2=C(Cl)C=CC=C2Cl)C(C)(C)C2=CC=CC=C12
InChIKey
InChIKey=VWNUPFHXXYYQPT-UHFFFAOYSA-N
Formula
C22H21Cl2NO3
Mass
418.31
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
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indoles and derivatives
Alternative Parents
Tertiary alkylarylamines Dichlorobenzenes Alpha-acyloxy ketones Aryl chlorides Vinylogous amides Acryloyl compounds Enones Amino acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole or derivatives - 1,3-dichlorobenzene - Tertiary aliphatic/aromatic amine - Chlorobenzene - Alpha-acyloxy ketone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous amide - Enone - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Ketone - Enamine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available