Compound Identification
SMILES
O=C(NCCC[NH+]1CCOCC1)C1C2OC3(CN(CC4=CC=CS4)C(=O)C13)C=C2
InChIKey
InChIKey=JNSLCAFKRVTPDV-UHFFFAOYSA-O
Formula
C21H28N3O4S
Mass
418.53
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
Furopyrroles Morpholines N-alkylpyrrolidines Pyrrolidine-2-ones Dihydrofurans Furans Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Oxolanes Pyrroles Quaternary ammonium salts Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Furopyrrole - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dihydrofuran - Furan - Oxolane - Pyrrole - Pyrrolidine - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Ether - Dialkyl ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - 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