Compound Identification
SMILES
CCOC1NC2=CC=CC(C(=O)OCC)=C2N1CC1=CC=C(C=C1)N1C(Cl)=C(C)C=C1C#N
InChIKey
InChIKey=DCZHIVDXFNMOBT-UHFFFAOYSA-N
Formula
C25H25ClN4O3
Mass
464.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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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
Benzimidazoles Dialkylarylamines Secondary alkylarylamines Aryl chlorides Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Orthocarboxylic acid derivatives Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Benzimidazole - Dialkylarylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Orthocarboxylic acid derivative - Tertiary amine - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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