Compound Identification
SMILES
CC1=C\C(=C2\NNC3=C2C(N(CCO)C3=O)C2=CC=C(Cl)C=C2)C(=O)C(C)=C1
InChIKey
InChIKey=QBDGNGQPQHWSIK-ICFOKQHNSA-N
Formula
C21H20ClN3O3
Mass
397.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Alpha amino acids and derivatives O-quinomethanes Chlorobenzenes Aryl chlorides Pyrazolines Tertiary carboxylic acid amides Vinylogous amides Pyrroles Lactams Alkanolamines Azacyclic compounds Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Alpha-amino acid or derivatives - Quinomethane - O-quinomethane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Pyrazoline - Carboxamide group - Cyclic ketone - Ketone - Lactam - Alkanolamine - Azacycle - Carboxylic acid derivative - Primary alcohol - Organic nitrogen compound - Hydrazine derivative - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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