Structure Information
Structure

Compound Identification

SMILES

[Br-].C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1.CC1=CC=CC(C(=O)NCC2=CC=C(CNC(=O)C3=C(OC4=CC=C(F)C=C4)N=CC=C3)C=C2)=C1O

InChIKey

InChIKey=XBAXLIHGAPBBSK-YZKLQTQOSA-M

Formula

C47H46BrFN4O8S2

Mass

957.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

N-benzylbenzamides

Alternative Parents

Molecular Framework

Not available

Substituents

N-benzylbenzamide - Diaryl ether - Salicylamide - Salicylic acid or derivatives - Nicotinamide - M-toluamide - Toluamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Benzoyl - Phenoxy compound - O-cresol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Toluene - N-alkylpyrrolidine - Oxazinane - Aryl halide - Aryl fluoride - Piperidine - Morpholine - Pyridine - Vinylogous acid - Tetraalkylammonium salt - Thiophene - Quaternary ammonium salt - Pyrrolidine - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organic bromide salt - Organic zwitterion - Organic salt - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.

External Descriptors

Not available

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