Compound Identification
SMILES
OC(=O)C(F)(F)F.COC1=C(OC)C=C(C=C1)C12CCN(C)C1CC(CC2)NC(=O)NC1=CC=C(C=C1)C#N
InChIKey
InChIKey=QHPMLISCFBEXAJ-UHFFFAOYSA-N
Formula
C27H31F3N4O5
Mass
548.563
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
N-phenylureas Dimethoxybenzenes Indoles and derivatives Phenoxy compounds Anisoles Benzonitriles Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyrroles Alpha-halocarboxylic acids Ureas Trialkylamines Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Not available
Substituents
3-phenylpyrrolidine - N-phenylurea - O-dimethoxybenzene - Dimethoxybenzene - Indole or derivatives - Phenoxy compound - Benzonitrile - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary amine - Tertiary aliphatic amine - Urea - Carboxylic acid - Ether - Nitrile - Carbonitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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