Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(NC2C2=CC3=C(OCO3)C=C2)C=CC(=C1)C(O)=O
InChIKey
InChIKey=NCXQUDXFPZQCHH-UHFFFAOYSA-N
Formula
C23H22N2O5
Mass
406.438
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Benzodioxoles 1,4-diazepines Aralkylamines Cyclohexenones Secondary alkylarylamines Benzenoids Vinylogous amides Amino acids Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Acetals Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzodioxole - Para-diazepine - Cyclohexenone - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Vinylogous amide - Amino acid or derivatives - Amino acid - Ketone - Acetal - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Azacycle - Aldehyde - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available