Compound Identification
SMILES
CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC2=CN=CN2)CC1CC1=CN=CC=C1
InChIKey
InChIKey=HKDHQDLGDPDZEP-UHFFFAOYSA-N
Formula
C21H22N6O2S
Mass
422.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
1,4-benzodiazepines
Alternative Parents
Dialkylarylamines Aralkylamines Pyridines and derivatives Organosulfonamides Organic sulfonamides Benzenoids Sulfonyls Imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Cyanide - Organic oxide - 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