Compound Identification
SMILES
COC1=C(OCC=C)C(Br)=CC(C=NNC(=O)C2=CC=C(CN3CCC4=CC=CC=C4C3)C=C2)=C1
InChIKey
InChIKey=XJKDASXFRVQXJW-UHFFFAOYSA-N
Formula
C28H28BrN3O3
Mass
534.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Benzylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Benzylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Benzylisoquinolines
Alternative Parents
Tetrahydroisoquinolines Benzoic acids and derivatives Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylisoquinoline - Tetrahydroisoquinoline - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
External Descriptors
Not available