Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C2N=C[C@@H]3CC(=O)CN3C(=O)C2=C1
InChIKey
InChIKey=JNCYKTKZJRJHCY-AWEZNQCLSA-N
Formula
C20H18N2O4
Mass
350.374
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
Anisoles Alkyl aryl ethers Pyrrolidine-3-ones Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 3-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Ketone - Lactam - Cyclic ketone - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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