Compound Identification
SMILES
NC1=NC2=C(C=NN2)C(=N1)N1CCN(CC2=CC=CC=C2Cl)C2=CC=CC=C2C1
InChIKey
InChIKey=XDSYITHMAPAPJW-UHFFFAOYSA-N
Formula
C21H20ClN7
Mass
405.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Phenylmethylamines Dialkylarylamines Benzylamines Chlorobenzenes Aralkylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidine - Aryl chloride - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Azacycle - Primary amine - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available