Compound Identification
SMILES
OC1=CC=CC2=C1N=CCN(CC#C)C2=O.COC1CN(CC#C)C(=O)C2=C(N1)C(O)=CC=C2
InChIKey
InChIKey=LOPDOVKDKQBNPM-UHFFFAOYSA-N
Formula
C25H24N4O5
Mass
460.49
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
Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Tertiary carboxylic acid amides Lactams Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Acetylide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - 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