Compound Identification
SMILES
FC1=CC=C(CC2CN(CC3=CN=CN3)C3=C(CN2S(=O)(=O)C2=CC=CC=C2)C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=ZGIYCNPBCARAER-UHFFFAOYSA-N
Formula
C27H24FN5O2S
Mass
501.58
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
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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
Benzenesulfonamides Benzenesulfonyl compounds Dialkylarylamines Fluorobenzenes Aralkylamines Organosulfonamides Aryl fluorides Sulfonyls Imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Benzenesulfonamide - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Imidazole - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Organic oxide - 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