Compound Identification
SMILES
OC[C@@H](O)[C@H](O)[C@@H](O)CN1C2=C(C=C(Cl)C=C2)C(=O)N2CCCC2C1=O
InChIKey
InChIKey=HOYQITCCZOURCI-FGDMXMHKSA-N
Formula
C17H21ClN2O6
Mass
384.81
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
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Pentoses Aryl chlorides Benzenoids Vinylogous amides Tertiary carboxylic acid amides Pyrrolidines Secondary alcohols Lactams Polyols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Pentose monosaccharide - Aryl chloride - Aryl halide - Monosaccharide - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Secondary alcohol - Carboxamide group - Lactam - Polyol - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - 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