Compound Identification
SMILES
OC(=O)C(C1CCN(CC1)C(=O)NC1=CC=C(Cl)C=C1)N1CCC(CC1)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=XJUNTDQRWYJDHU-UHFFFAOYSA-N
Formula
C27H31ClN4O3
Mass
495.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
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
3-alkylindoles Alpha amino acids Piperidinecarboxamides Aralkylamines Chlorobenzenes Substituted pyrroles Aryl chlorides Heteroaromatic compounds Ureas Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylurea - 3-alkylindole - Indole or derivatives - Indole - 1-piperidinecarboxamide - Piperidinecarboxamide - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Piperidine - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Urea - Amino acid or derivatives - Tertiary amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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