Compound Identification
SMILES
NC1=C(C#N)C2=CCN(CC3=CC=CC=C3)CC2C(C2=CC=C(Cl)C=C2)C1(C#N)C#N
InChIKey
InChIKey=BTIIWIFSPDNJFX-UHFFFAOYSA-N
Formula
C25H20ClN5
Mass
425.92
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
Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Nitriles Enamines Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylisoquinoline - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Enamine - Azacycle - Organohalogen compound - Primary aliphatic amine - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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