Compound Identification
SMILES
CN(CC(O)C1=CC=CC=C1)C1=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C(Cl)C=C1
InChIKey
InChIKey=XDROTNZAWWKOTD-UHFFFAOYSA-N
Formula
C21H19ClN6O2
Mass
422.87
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
Aniline and substituted anilines Dialkylarylamines Aralkylamines Chlorobenzenes Pyrazines Aryl chlorides Imidolactams Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Ureas Nitriles Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Imidolactam - Aryl halide - Pyrazine - Heteroaromatic compound - Urea - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Aromatic alcohol - Amine - Cyanide - 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