Compound Identification
SMILES
COC1=CC=C(NC(=O)N2CCC[NH+](CC3=CC=C(C=C3)C#N)CC2)C=C1
InChIKey
InChIKey=HUCQSFGBDVKDGJ-UHFFFAOYSA-O
Formula
C21H25N4O2
Mass
365.456
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
Methoxyanilines Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzonitriles Benzylamines 1,4-diazepanes Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Ureas Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Methoxyaniline - Anisole - Benzonitrile - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Diazepane - 1,4-diazepane - Quaternary ammonium salt - Urea - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Cyanide - Organic oxide - 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