Compound Identification
SMILES
BrC1=CC=CC=C1C(=O)N1CCN(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC1
InChIKey
InChIKey=YXXMSVMUSHCGHX-UHFFFAOYSA-N
Formula
C25H22BrN3O3
Mass
492.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Naphthalenes Benzamides Benzoyl derivatives Bromobenzenes N-alkylpiperazines N-substituted carboxylic acid imides Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - N-alkylpiperazine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Carboxylic acid imide, n-substituted - Piperazine - Tertiary carboxylic acid amide - Vinylogous halide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available