Compound Identification
SMILES
O=C(NC1=CC=C(C=C1)C(=O)NC[C@H]1CCN(C1)C(=O)C1=CC=CC=C1)N1CC2=C(C1)C=NC=C2
InChIKey
InChIKey=VGRGGRCAUNYFAE-LJQANCHMSA-N
Formula
C27H27N5O3
Mass
469.545
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
Pyrrolopyridines Pyridinecarboxamides Benzamides N-acylpyrrolidines Benzoyl derivatives Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Ureas Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Benzamide - Benzoic acid or derivatives - Pyridinecarboxamide - Pyrrolopyridine - Benzoyl - N-acylpyrrolidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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