Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(C)C)C=CC(=C1)C1C(N2C=CC3=CC=CC=C3C2C1(C#N)C#N)C(=O)C12CC3CC(CC(C3)C1)C2

InChIKey

InChIKey=BBBJZDIRNYUXII-UHFFFAOYSA-N

Formula

C35H37N3O3

Mass

547.699

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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

Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Alpha-amino ketones Trialkylamines Nitriles Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrolidine - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Enamine - Ether - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Cyanide - Organic oxygen 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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