Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(C(=O)CCC(O)=O)C2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=CC=C1
InChIKey
InChIKey=HBNVSWCYQDUNQB-UHFFFAOYSA-N
Formula
C31H28N2O6
Mass
524.573
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
Benzoic acid esters Benzoyl derivatives Secondary alkylarylamines Cyclohexenones 1,4-diazepines Vinylogous amides Tertiary carboxylic acid amides Methyl esters Amino acids Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Para-diazepine - Cyclohexenone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Methyl ester - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Ketone - Enamine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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