Compound Identification
SMILES
CNC1=C(C(=O)N(C1)C1=CC=C(C=C1)C(N)=N)C1=CC=C(CCC(O)=O)C=C1
InChIKey
InChIKey=QMSXBMCNQLSARF-UHFFFAOYSA-N
Formula
C21H22N4O3
Mass
378.432
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Phenylpropanoic acids Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Pyrroles Amino acids Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Enamines Dialkylamines Carboxylic acids Carboximidamides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - 1-phenylpyrroline - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Amino acid - Azacycle - Carboximidamide - Secondary amine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Amidine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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