Compound Identification
SMILES
COC(=O)C[C@@H]1NC2=C(CN(CCC3=CC=CC=C3)C1=O)C=C(C=C2)C(O)=O
InChIKey
InChIKey=PMTVGVNNGFUGJQ-SFHVURJKSA-N
Formula
C21H22N2O5
Mass
382.416
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 Secondary alkylarylamines Benzene and substituted derivatives Tertiary carboxylic acid amides Methyl esters Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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