Compound Identification
SMILES
CS(O)(=O)=O.CN1CCN(CC1)\C=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)[N+]([O-])=O)N2C1=O
InChIKey
InChIKey=DDSDPQHQLNAGLJ-UGAWPWHASA-N
Formula
C24H25ClN6O6S
Mass
561.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Alpha amino acids and derivatives Nitroaromatic compounds Chlorobenzenes N-methylpiperazines Aryl chlorides Imidazolinones Organosulfonic acids Sulfonyls Alkanesulfonic acids Vinylogous amides Methanesulfonates Ketimines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Enamines Organic oxoazanium compounds Organic zwitterions Organic salts Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Chlorobenzene - Halobenzene - Piperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Imidazolinone - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 2-imidazoline - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Ketimine - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Enamine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Amine - Organic nitrogen compound - Organic zwitterion - Imine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - 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