Compound Identification
SMILES
C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)COC1=C(Cl)C=C(Br)C=C1
InChIKey
InChIKey=VPDGXFLNXIASRK-CYBMUJFWSA-N
Formula
C21H21BrClN3O4
Mass
494.77
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
Alpha amino acids and derivatives Phenoxy compounds Phenol ethers 1,4-diazepines Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Para-diazepine - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Lactam - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organobromide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organohalogen 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