Compound Identification
SMILES
COC(=O)CCC1=C(C(C(N)=O)=C(C)N1CC=C)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=YCZJWJVGLJENOB-UHFFFAOYSA-N
Formula
C20H21N3O3
Mass
351.406
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
Pyrrole carboxamides Benzonitriles Fatty acid esters Vinylogous amides Methyl esters Heteroaromatic compounds Primary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrole - Benzonitrile - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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