Compound Identification
SMILES
OC(=O)C1(CC2=CC=C(O)C=C2)NC(C2C1C(=O)NC2=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=QVNAQXRCNNUXMB-UHFFFAOYSA-N
Formula
C21H17N3O5
Mass
391.383
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Pyrrolidine carboxylic acids Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Pyrrolidine-2-ones Pyrroles N-unsubstituted carboxylic acid imides Dicarboximides Amino acids Lactams Nitriles Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzonitrile - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Pyrrole - Amino acid or derivatives - Lactam - Amino acid - Secondary amine - Nitrile - Carbonitrile - Azacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Cyanide - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available