Compound Identification
SMILES
COC1=C(O)C=CC(C=C2SC(=NC2=O)N2CCN(CC2)C2=CC=CC=C2[N+]([O-])=O)=C1
InChIKey
InChIKey=YQFILONIINLJCQ-UHFFFAOYSA-N
Formula
C21H20N4O5S
Mass
440.47
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 Methoxyphenols Nitrobenzenes Phenoxy compounds Aniline and substituted anilines Anisoles Nitroaromatic compounds Methoxybenzenes Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Thiazolines Amino acids and derivatives N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboximidamides Organic oxides Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Methoxyphenol - Nitrobenzene - Anisole - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Organic nitro compound - Isothiourea - C-nitro compound - Amino acid or derivatives - Tertiary amine - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboximidamide - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Amine - Organic oxygen compound - Organic zwitterion - Organonitrogen 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