Compound Identification
SMILES
COCCN(CC(=O)NC1=NC(CC(=O)NC2CCN(CC3=CC=CC=C3)CC2)=CS1)C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=HSJTUTBXMDSFEK-UHFFFAOYSA-N
Formula
C29H33Cl2N5O4S
Mass
618.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Hippuric acids and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Phenylmethylamines Benzoyl derivatives N-arylamides Benzylamines Dichlorobenzenes 2,4-disubstituted thiazoles Aralkylamines Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-benzylpiperidine - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - N-arylamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Thiazole - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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