Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)N1N=NC(=N1)C1=CN(N=C1)C1CN(N=C1C1=CC=C(Cl)C=C1)C(=O)N(CC#N)C1=CC=C(OC(F)(F)F)C=C1

InChIKey

InChIKey=FWWLWSQLADEBST-UHFFFAOYSA-N

Formula

C27H24ClF3N10O2

Mass

613.0

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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 heteromonocyclic compounds

Substituents

N-phenylurea - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Semicarbazone - Heteroaromatic compound - Tetrazole - Semicarbazide - Pyrazoline - Pyrazole - Azole - Trihalomethane - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Aromatic heteromonocyclic 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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