Compound Identification
SMILES
CC1=CC(N2CCCC2)=C(F)C=C1C=NNC(=O)CSC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HOCHCSRSVOIQAN-UHFFFAOYSA-N
Formula
C20H21FN4O3S
Mass
416.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Nitrobenzenes Thiophenol ethers Aminotoluenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Alkylarylthioethers Fluorobenzenes Aryl fluorides Pyrroles Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Nitrobenzene - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Alkylarylthioether - Fluorobenzene - Halobenzene - Toluene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Pyrrole - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Tertiary amine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic salt - Organohalogen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available