Compound Identification
SMILES
BrC1=CC=C(C=C1)N1C(=O)[C@@H](C=NCCC[NH+]2CCOCC2)C2=CC=CC=C2C1=O
InChIKey
InChIKey=FZNHQUFDSYNTAW-NRFANRHFSA-O
Formula
C23H25BrN3O3
Mass
471.374
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Bromobenzenes Aryl bromides N-substituted carboxylic acid imides Morpholines Quaternary ammonium salts Dicarboximides Trialkylamines Shiff bases Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Carboxylic acid imide, n-substituted - Oxazinane - Benzenoid - Quaternary ammonium salt - Carboxylic acid imide - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Shiff base - Amino acid or derivatives - Azacycle - Oxacycle - Aldimine - Carboxylic acid derivative - Ether - Dialkyl ether - Organonitrogen compound - Organobromide - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Imine - Hydrocarbon derivative - Organohalogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available