Compound Identification
SMILES
OC(C1=CNC2=CC=CC=C12)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=HKBBXHPOHHFCQF-UHFFFAOYSA-N
Formula
C16H12N2O
Mass
248.285
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
Benzonitriles Substituted pyrroles Heteroaromatic compounds Secondary alcohols Nitriles Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Benzonitrile - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary alcohol - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Aromatic alcohol - Cyanide - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen 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