Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C(=O)C1C(C2=CC=C(C=C2)[N+]([O-])=O)C(C#N)(C#N)C2N1C=CC1=CC=CC=C21

InChIKey

InChIKey=MSPDTUAHYIXVPH-UHFFFAOYSA-N

Formula

C25H22N4O3

Mass

426.476

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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

Nitrobenzenes Nitroaromatic compounds Aralkylamines Pyrroles Alpha-amino ketones Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Enamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Pyrrole - Ketone - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Cyanide - Amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic salt - 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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