Compound Identification
SMILES
CC(NC(=O)C1=COC(=N1)C(N)CC1=CNC2=CC=CC=C12)C1=CC=C(Br)C=C1
InChIKey
InChIKey=OWNPZSRRMGUYKM-UHFFFAOYSA-N
Formula
C22H21BrN4O2
Mass
453.34
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
2-heteroaryl carboxamides 2,4-disubstituted oxazoles Aralkylamines Bromobenzenes Substituted pyrroles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Azole - Oxazole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Primary aliphatic amine - Organohalogen compound - Organobromide - 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