Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1CCN(CC1)C1=C(C(=NC=N1)N1CCN(CCO)CC1)[N+]([O-])=O
InChIKey
InChIKey=KUBKEBRBKBHDGP-UHFFFAOYSA-N
Formula
C22H31N7O3
Mass
441.536
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 Aniline and substituted anilines Dialkylarylamines o-Xylenes Nitroaromatic compounds N-alkylpiperazines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - O-xylene - Xylene - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - N-alkylpiperazine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkanolamine - Organic oxoazanium - Azacycle - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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