Compound Identification
SMILES
O[C@@H]1CCN(CCN(C2CCC(CC2)C2=CC=CC(=C2)C#N)C(=O)NC2=CC(=C(F)C=C2)C(F)(F)F)C1
InChIKey
InChIKey=WVKGDXFNLLPPQP-ZUEZHPSSSA-N
Formula
C27H30F4N4O2
Mass
518.557
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Trifluoromethylbenzenes Benzonitriles Fluorobenzenes Aryl fluorides N-alkylpyrrolidines Trialkylamines Ureas 1,2-aminoalcohols Secondary alcohols Nitriles Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylurea - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organonitrogen compound - Amine - Alkyl halide - Organooxygen compound - Alkyl fluoride - 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