Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=CC(=NC=C1[C@@H](O)CN1CCN(C[C@H](O)C2=C(C)C3=C(C=C2)C(=O)OC3)CC1)C1=NNN=N1

InChIKey

InChIKey=JLRHKOPAPDKGLV-VROPFNGYSA-N

Formula

C24H30ClN7O4

Mass

516.0

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Methylpyridine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic alcohol - Hydrochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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