Compound Identification
SMILES
COC1=C(OCCCCC(C)(C)C#N)C=C(C=C1)[C@@H]1CN(C(=O)C1)C1=CC(N)=CC=C1
InChIKey
InChIKey=CQIWBISOWXDCBN-IBGZPJMESA-N
Formula
C25H31N3O3
Mass
421.541
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Tertiary amines Amino acids and derivatives Lactams Nitriles Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - 3-phenylpyrrolidine - Anisole - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic heteromonocyclic 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