Compound Identification
SMILES
COCCNCC1=C(COC)C(=C2N1N=CN=C2N)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=PDIBXSVRIKUBCW-UHFFFAOYSA-N
Formula
C26H27F4N7O3
Mass
561.542
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Trifluoromethylbenzenes N-phenylureas Pyrrolo[2,1-f][1,2,4]triazines Aralkylamines Fluorobenzenes 1,2,4-triazines Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Dialkyl ethers Dialkylamines Carbonyl compounds Primary amines Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Trifluoromethylbenzene - N-phenylurea - Pyrrolo[2,1-f][1,2,4]triazine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Imidolactam - Benzenoid - Triazine - Heteroaromatic compound - Urea - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available