Compound Identification
SMILES
ClC1=CC=CC=C1CN1CCCC[C@@H](C1)NCC1=CN=CN1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=HCXFAMUPFVQSHK-QHCPKHFHSA-N
Formula
C25H28ClN5
Mass
433.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Benzonitriles Chlorobenzenes Azepanes Aralkylamines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Trialkylamines Nitriles Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Benzylamine - Phenylmethylamine - Azepane - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Carbonitrile - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Nitrile - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available