Compound Identification
SMILES
FC1=CC=CC(NC(=O)N2CCC[NH+](CC3=CC=C(C=C3)C#N)CC2)=C1
InChIKey
InChIKey=RZHIUCCFCHNIPR-UHFFFAOYSA-O
Formula
C20H22FN4O
Mass
353.421
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
Phenylmethylamines Benzonitriles Benzylamines 1,4-diazepanes Aralkylamines Fluorobenzenes Aryl fluorides Quaternary ammonium salts Ureas Trialkylamines Nitriles Azacyclic compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Benzonitrile - Benzylamine - Phenylmethylamine - 1,4-diazepane - Diazepane - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Quaternary ammonium salt - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic cation - 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