Compound Identification
SMILES
NC1=C(C(=O)OCC2CCCO2)C2=NC3=CC=CC=C3N=C2N1C1=CC=C(F)C=C1
InChIKey
InChIKey=CYTHYHOWNUXQQD-UHFFFAOYSA-N
Formula
C22H19FN4O3
Mass
406.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Quinoxalines Pyrrolopyrazines Pyrrole carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Primary aromatic amines Pyrazines Heteroaromatic compounds Vinylogous amides Oxolanes Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Diazanaphthalene - Quinoxaline - Pyrrolopyrazine - Pyrrole-3-carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrazine - Primary aromatic amine - Oxolane - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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