Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C[NH+]2CCC(CC2)C(=O)N\N=C/C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=GJXJDAIPXGXWJH-XKZIYDEJSA-O
Formula
C20H22BrN4O3
Mass
446.324
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Piperidinecarboxamides Nitrobenzenes Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Bromobenzenes Aryl bromides Quaternary ammonium salts Trialkylamines Carboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Nitrobenzene - Piperidinecarboxamide - Nitroaromatic compound - Phenylmethylamine - Benzylamine - Aralkylamine - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Quaternary ammonium salt - Organic nitro compound - Tertiary aliphatic amine - C-nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available