Compound Identification
SMILES
CCCCOC1(OCCCC)N=C(N)C2(C#N)C(C3=CC=C(Br)C=C3)C12C#N
InChIKey
InChIKey=USZYKNLIVFBEDM-UHFFFAOYSA-N
Formula
C21H25BrN4O2
Mass
445.361
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Tetrahydropyridines Imidolactams Aryl bromides Pyrrolines Orthocarboxylic acid derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bromobenzene - Tetrahydropyridine - Aryl bromide - Aryl halide - Imidolactam - Pyrroline - Orthocarboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available