Compound Identification
SMILES
NCCCC1=CN=CN1.[O-][N+](=O)C1=C(C=CC(=C1)C1=NNC(=O)CC1)N1CC[N+](CC1)=C=N
InChIKey
InChIKey=MHWITNBJFUZQRT-UHFFFAOYSA-O
Formula
C21H28N9O3
Mass
454.514
Taxonomic Classification
Taxonomy Tree
-
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 Nitroaromatic compounds Dialkylarylamines Pyridazinones Aralkylamines Imidazoles Heteroaromatic compounds Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Carbodiimides Organic salts Hydrocarbon derivatives Carbonyl compounds Imines Monoalkylamines Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyridazinone - Aralkylamine - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - Tertiary amine - Amino acid or derivatives - C-nitro compound - Azacycle - Carbodiimide - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary aliphatic amine - Imine - Organic oxygen compound - Primary amine - Carbonyl group - Organic oxide - Amine - Organic cation - 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