Compound Identification
SMILES
COC1=NC(NC2=CC3=C(NC=C3C[C@H]3CCCN3C)C=C2)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CPKHGURQECYECF-OAHLLOKOSA-N
Formula
C20H23N5O3
Mass
381.436
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
Nitroaromatic compounds Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Substituted pyrroles Benzenoids Imidolactams N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Nitroaromatic compound - Alkyl aryl ether - Aminopyridine - Aralkylamine - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Pyridine - Imidolactam - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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