Compound Identification
SMILES
COC(=O)CC1=C2C(C(C#N)C(=N)OC2=NN1)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=REGVENFQJHUBDE-UHFFFAOYSA-N
Formula
C18H15N5O3
Mass
349.35
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
-
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
Substituted pyrroles Benzenoids Pyrazoles Methyl esters Heteroaromatic compounds Imidoesters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Substituted pyrrole - Benzenoid - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Imido ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Azacycle - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Cyanide - 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