Structure Information
Structure

Compound Identification

SMILES

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Cl)c3)CC2)nc2ccsc12

InChIKey

InChIKey=HEJNMEKMCPQANR-GQCTYLIASA-N

Formula

C29H28ClN5OS

Mass

530.09

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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

Thienopyrimidines Phenylmethylamines Phenol ethers Benzylamines Secondary alkylarylamines Chlorobenzenes Aralkylamines Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Trialkylamines Nitriles Ethers Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-benzylpiperidine - Thienopyrimidine - Phenylmethylamine - Phenol ether - Benzylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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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