Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CNCCNC(=O)NC1=CC=C(OCCCF)C=C1)COC1=CC=CC=C1C#N

InChIKey

InChIKey=IKYZBDHXQOQUNJ-IBGZPJMESA-N

Formula

C22H27FN4O4

Mass

430.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-phenylurea - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - 1,2-aminoalcohol - Secondary alcohol - Urea - Secondary amine - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Cyanide - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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