Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(N2N=CC3=CC=CC=C3C2C1(C#N)C(N)=O)C(=O)C(C)(C)C
InChIKey
InChIKey=MIOABYCDAMJFBS-UHFFFAOYSA-N
Formula
C25H26N4O3
Mass
430.508
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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
Phthalazines Pyrrolidinecarboxamides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrroles Primary carboxylic acid amides Ketones Nitriles Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Phthalazine - Anisole - Phenol ether - Phenoxy compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Ketone - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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