Compound Identification
SMILES
[O-][N+](=O)C1=C(N=CN=C1NCC1=C(C=C(F)C=C1)C(F)(F)F)N1CCN(CC1)C(=O)C1=CC=CO1
InChIKey
InChIKey=BNJCCIMHDBEOSS-UHFFFAOYSA-N
Formula
C21H18F4N6O4
Mass
494.407
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
Trifluoromethylbenzenes 2-heteroaryl carboxamides Benzylamines Dialkylarylamines Furoic acid and derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Alkyl fluorides Hydrocarbon derivatives Organic zwitterions Organofluorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylpiperazine - Trifluoromethylbenzene - 2-heteroaryl carboxamide - Dialkylarylamine - Benzylamine - Nitroaromatic compound - Furoic acid or derivatives - Fluorobenzene - Aminopyrimidine - Halobenzene - Monocyclic benzene moiety - Benzenoid - Imidolactam - Aryl halide - Aryl fluoride - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organic zwitterion - Organic salt - Alkyl halide - Amine - Organohalogen compound - Alkyl fluoride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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