Compound Identification
SMILES
COC1=C(O[C@@H]2CCOC2)C=C(C=C1)[C@H]1CN(CC(=O)NC2=CC=NN2)C(=O)C1
InChIKey
InChIKey=LMFMKRVCAHMPSZ-HUUCEWRRSA-N
Formula
C20H24N4O5
Mass
400.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
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 and derivatives Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Pyrazoles Pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Oxolanes Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Azole - Oxolane - Heteroaromatic compound - Pyrazole - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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