Compound Identification
SMILES
COC(=O)C1=CC2=CC(Br)=CC(OCCNCCCCC3=CNC4=C3C=C(C=C4)C#N)=C2O1
InChIKey
InChIKey=REGGMSYSJAHYKV-UHFFFAOYSA-N
Formula
C25H24BrN3O4
Mass
510.388
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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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
Benzofurans Furoic acid esters Phenol ethers Alkyl aryl ethers Aralkylamines Substituted pyrroles Aryl bromides Methyl esters Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Nitriles Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Phenol ether - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Aryl bromide - Benzenoid - Aryl halide - Pyrrole - Methyl ester - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Ether - Azacycle - Carbonitrile - Nitrile - Secondary amine - Organic oxygen compound - Amine - Cyanide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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