Compound Identification
SMILES
CC1=C(C=C(NC(=O)NC2=CC=CC(=C2)C2=CN3C=CN=C3C(=N2)N2C=CN=C2C2=CC=NC=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=PSIOTIHROIOLGQ-UHFFFAOYSA-N
Formula
C29H21F3N8O
Mass
554.537
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
Trifluoromethylbenzenes Imidazopyrazines Toluenes Pyridines and derivatives Pyrazines N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Trifluoromethylbenzene - Imidazopyrazine - Toluene - N-substituted imidazole - Pyrazine - Pyridine - Heteroaromatic compound - Azole - Imidazole - Urea - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic oxide - 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