Compound Identification
SMILES
O=C(NC1=CC=CC=C1)N1CCCC(CCNC2=NC=CC(=N2)N2C=NC3=C2C=CC(NCC2CCCN2)=C3)C1
InChIKey
InChIKey=TZJVKIQHNWLKCX-UHFFFAOYSA-N
Formula
C30H37N9O
Mass
539.688
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
Piperidinecarboxamides Benzimidazoles Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Pyrrolidines Heteroaromatic compounds Ureas Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Benzimidazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Pyrimidine - Piperidine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Urea - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen 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