Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NNC1=NC2(CCCC2)CC2=CC=CC=C12
InChIKey
InChIKey=JIKHRIDSRIBZTN-UHFFFAOYSA-N
Formula
C20H20BrN3O
Mass
398.304
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dihydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dihydroisoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dihydroisoquinolines
Alternative Parents
3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Imidolactams Aryl bromides Carboxylic acid hydrazides Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Dihydroisoquinoline - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Carboxylic acid amidrazone - Carboxylic acid hydrazide - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond.
External Descriptors
Not available