Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(COC1CCN(CC3=CC=C(Br)C=C3)CC1)N2)C1=CC=CC=C1

InChIKey

InChIKey=QQECXYVDQURPTI-UHFFFAOYSA-N

Formula

C29H33BrN6O2

Mass

577.527

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Piperidines

Subclass

Benzylpiperidines

Intermediate Tree Nodes

Not available

Direct Parent

N-benzylpiperidines

Alternative Parents

Pyrrolo[2,3-d]pyrimidines Phenylmethylamines Benzylamines Aminopyrimidines and derivatives Aralkylamines Bromobenzenes Substituted pyrroles Aryl bromides Imidolactams Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-benzylpiperidine - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzylamine - Phenylmethylamine - Halobenzene - Aminopyrimidine - Bromobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Pyrrole - Heteroaromatic compound - Acetamide - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Amine - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.

External Descriptors

Not available

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