Structure Information
Structure

Compound Identification

SMILES

CCC1=CC2=C(OC(N2)=C2C=C(NC(=S)NC(=O)C3=CC(=C(C=C3)N3CCCC3)[N+]([O-])=O)C=C(C)C2=O)C=C1

InChIKey

InChIKey=NIIUCIYJMBEQQH-UHFFFAOYSA-N

Formula

C28H27N5O5S

Mass

545.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Aminobenzamides Benzoxazolines Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds O-quinomethanes Vinylogous amides Vinylogous esters Pyrroles Thioureas Ketene acetals Amino acids and derivatives Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrolidine - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoxazoline - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - O-quinomethane - Quinomethane - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Pyrrole - Cyclic ketone - Thiourea - Tertiary amine - Amino acid or derivatives - Ketene acetal or derivatives - Organic nitro compound - C-nitro compound - Ketone - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic 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

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