Compound Identification
SMILES
O=C1NCC2=C1C1=C(OCC(C1)N(CCCCC1=CNC3=C1C=C(C=C3)C#N)CC1CC1)C=C2
InChIKey
InChIKey=MPWYHMZQNZPQHG-UHFFFAOYSA-N
Formula
C28H30N4O2
Mass
454.574
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoindoles and derivatives
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Subclass
Isoindolines
- Level 5 Isoindolones
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Subclass
Isoindolines
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Class
Isoindoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
1-benzopyrans 3-alkylindoles Isoindoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Chromane - Benzopyran - 1-benzopyran - 3-alkylindole - Isoindole - Indole - Indole or derivatives - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors
Not available