Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)C1=C(C(NNC(=O)C2=CC=C(Br)C=C2)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=MPRMOSHELHMOAP-UHFFFAOYSA-N
Formula
C18H20BrN7O5
Mass
494.306
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 N-arylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-arylpiperazines
Alternative Parents
4-halobenzoic acids and derivatives Piperazine carboxylic acids Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Imidolactams Carbamate esters Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Piperazine-1-carboxylic acid - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Bromobenzene - Halobenzene - Aminopyrimidine - Imidolactam - Pyrimidine - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Amine - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
Not available