Compound Identification
SMILES
COC1=C(O)C=CC(C=CC2C3=CCC4C(C3CC3C(=O)N(C(=O)C23C)C2=CC(=NN2C)C2=C(C)C3=C(S2)C=CC(Cl)=C3)C(=O)N(CCC(O)=O)C4=O)=C1
InChIKey
InChIKey=HBFBBHLYELDTGK-UHFFFAOYSA-N
Formula
C40H37ClN4O8S
Mass
769.27
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
Methoxyphenols 1-benzothiophenes Anisoles Methoxybenzenes Styrenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl chlorides Pyrrolidine-2-ones Thiophenes Heteroaromatic compounds Dicarboximides Pyrazoles Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyphenol - Isoindolone - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpyrrolidine - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Thiophene - Pyrrolidine - Pyrazole - Lactam - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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