Compound Identification
SMILES
CN1CCC2=C(C1)N=C(NC(=O)C1=CC(=CC=C1)[C@H]1CCCN1C(=O)C1=C(C)N=C(S1)C1=CC=NC=C1)S2
InChIKey
InChIKey=HDTJQXXQRMUTDQ-JOCHJYFZSA-N
Formula
C28H28N6O2S2
Mass
544.69
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
Benzamides 2,4,5-trisubstituted thiazoles Thiazolecarboxamides 2-heteroaryl carboxamides Benzoyl derivatives N-acylpyrrolidines Aralkylamines Pyridines and derivatives Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - N-acylpyrrolidine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Heteroaromatic compound - Azole - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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