Compound Identification
SMILES
CC1=CC=CC=[N+]1[C@H]1[C@H](C2=CC=C(Br)C=C2)C(C#N)=C(N[C@]1(O)C1CC1)C(C#N)=C=N
InChIKey
InChIKey=KGTOZXZPCIFWLP-NHTMILBNSA-N
Formula
C24H21BrN5O
Mass
475.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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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 Methylpyridines Pyridinium derivatives Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Alkanolamines Organooxygen compounds Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Methylpyridine - Tetrahydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkanolamine - Nitrile - Carbonitrile - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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