Compound Identification
SMILES
COC(=O)C1=C(C)N(NC(=O)NC2=CC=CC=C2)C(C)(O)C1(C#N)C1=CC=CC=C1
InChIKey
InChIKey=TVCBZYSFBMYZIN-UHFFFAOYSA-N
Formula
C22H22N4O4
Mass
406.442
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
N-phenylureas Vinylogous amides Semicarbazides Pyrroles Methyl esters Enoate esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrroline - N-phenylurea - Monocyclic benzene moiety - Benzenoid - Pyrrole - Semicarbazide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Alkanolamine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available