Compound Identification
SMILES
COC[C@H]1CCCN1C(=O)C1=CC(=C2N1N=CN=C2N)C1=CC(F)=C(NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=TXORKIFFHAHSMH-GOSISDBHSA-N
Formula
C27H25F4N7O3
Mass
571.537
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 Pyrrole carboxamides 2-heteroaryl carboxamides N-acylpyrrolidines Fluorobenzenes 1,2,4-triazines Imidolactams Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Tertiary amines Amino acids and derivatives Azacyclic compounds Dialkyl ethers Primary amines Hydrocarbon derivatives Organic oxides Alkyl fluorides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Trifluoromethylbenzene - N-phenylurea - Pyrrolo[2,1-f][1,2,4]triazine - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Urea - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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