Compound Identification
SMILES
CCOC(=O)C(=CC1=C(C(C(=O)CCl)C2=CC=CC=C2)C2=CC=CC=C2N1)C#N
InChIKey
InChIKey=HEGHNNOMTYMKDC-UHFFFAOYSA-N
Formula
C23H19ClN2O3
Mass
406.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
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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
3-alkylindoles
Alternative Parents
Fatty acid esters Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Enoate esters Alpha-chloroketones Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Fatty acid ester - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty acyl - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Organic oxygen compound - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available