Compound Identification
SMILES
CC1(C)OCC(COC2N=C(C3=CC=CC=C3)C3=C(NC2=O)C=CC(Cl)=C3)O1
InChIKey
InChIKey=ZQDXWYQEGBMDCN-UHFFFAOYSA-N
Formula
C21H21ClN2O4
Mass
400.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
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 Ketals Aryl chlorides Benzene and substituted derivatives 1,3-dioxolanes Secondary carboxylic acid amides Ketimines Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Ketal - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Meta-dioxolane - Ketimine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organohalogen compound - Imine - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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