Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)N1CCN(CC1)C(=S)NC(=O)C1=C(Cl)C=CC(Br)=C1
InChIKey
InChIKey=IGUMSHBWDDHGQA-UHFFFAOYSA-N
Formula
C19H15BrClF3N4O3S
Mass
551.76
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 Phenylpiperazines
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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
Phenylpiperazines
Alternative Parents
N-arylpiperazines Trifluoromethylbenzenes 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Thioureas Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Organic zwitterions Organobromides Organochlorides Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Halobenzene - Chlorobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Aryl bromide - Vinylogous halide - Amino acid or derivatives - Organic nitro compound - Thiourea - Tertiary amine - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Amine - Alkyl halide - Organic salt - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available