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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
-
Subclass
Isobenzofuranones
- Level 5 Phthalides
-
Subclass
Isobenzofuranones
-
Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
N-alkylpiperazines Methylpyridines Aralkylamines Benzenoids Tetrazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Lactones Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Aromatic alcohols Hydrocarbon derivatives Hydrochlorides Organic oxides
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