Compound Identification
SMILES
CC1=CC=CC(=C1)C1CN(CC1CN1CCC(CC1)C1=CN=C2C=C(Cl)C=CN12)C(CC1CCC1)C(O)=O
InChIKey
InChIKey=YBAKIXLYCSWARQ-UHFFFAOYSA-N
Formula
C31H39ClN4O2
Mass
535.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Alpha amino acids Carbocyclic fatty acids Imidazo[1,2-a]pyridines Imidazopyridines Toluenes Aralkylamines Piperidines N-substituted imidazoles N-alkylpyrrolidines Pyridines and derivatives Aryl chlorides Pyrroles Heteroaromatic compounds Amino acids Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Imidazo[1,2-a]pyridine - Imidazopyridine - Carbocyclic fatty acid - Toluene - Aralkylamine - Aryl halide - Piperidine - Pyridine - Monocyclic benzene moiety - Fatty acyl - N-substituted imidazole - Benzenoid - N-alkylpyrrolidine - Aryl chloride - Pyrrole - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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