Compound Identification
SMILES
COC1=CC2=C(NC=C2CCNC2=NC(=NC=C2)C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=FVYDRNYYOOKZSX-UHFFFAOYSA-N
Formula
C21H19ClN4O
Mass
378.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Anisoles Chlorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Anisole - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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