Compound Identification
SMILES
COC1=CC=C(CCNC(=O)C2=C(N)N(C3=NC4=CC=CC=C4N=C23)C2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=HPWPEUKGQSAGFT-UHFFFAOYSA-N
Formula
C27H22F3N5O2
Mass
505.501
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 Quinoxalines Pyrrolopyrazines Pyrrole carboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrazines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Trifluoromethylbenzene - Quinoxaline - Pyrrolopyrazine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Alkyl halide - 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