Compound Identification
SMILES
OCCOC(=O)C1=CC=C(OC2=NC=NC(N3CCN(CC3)C3=CC=CC=N3)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=BNESHPIFIMWQKB-UHFFFAOYSA-N
Formula
C22H22N6O6
Mass
466.454
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 Pyridinylpiperazines
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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
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Diarylethers Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic salts Organic zwitterions Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Nitroaromatic compound - Phenol ether - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Imidolactam - Pyridine - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
Not available