Compound Identification
SMILES
[O-][N+](=O)C1=CC(C(=O)N2CCCSC2=NC2=CC=CC=C2)=C(C=C1)N1CCC(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=WHGHUDGZEGGVDF-UHFFFAOYSA-N
Formula
C29H30N4O3S
Mass
514.64
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 4-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
4-benzylpiperidines
Alternative Parents
Phenylpiperidines 2-aminobenzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aralkylamines Thiazinanes Vinylogous amides Isothioureas Amino acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-benzylpiperidine - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Benzenoid - 1,3-thiazinane - Monocyclic benzene moiety - Vinylogous amide - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Isothiourea - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
External Descriptors
Not available