Compound Identification
SMILES
CN(CC#C)CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=CC=CC=C3N12
InChIKey
InChIKey=WMWSMDGLGALBGG-UHFFFAOYSA-N
Formula
C21H18ClN5
Mass
375.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,2,4-triazolo[4,3-a][1,4]benzodiazepines
Alternative Parents
Chlorobenzenes Aralkylamines Aryl chlorides Triazoles Heteroaromatic compounds Trialkylamines Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-triazolo[4,3-a][1,4]benzodiazepine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Heteroaromatic compound - Azole - 1,2,4-triazole - Ketimine - Tertiary amine - Tertiary aliphatic amine - Acetylide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Imine - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-triazolo[4,3-a][1,4]benzodiazepines. These are aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.
External Descriptors
Not available