Compound Identification
SMILES
CC1=CC=C(NC2=NN=C(C=C2)N2CCN(CC2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=QRSQGOCWUYRIHD-UHFFFAOYSA-N
Formula
C21H21ClN6O2
Mass
424.89
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 Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aminopyridazines Toluenes Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aminopyridazine - Toluene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyridazine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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