Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1N(C1OC(=O)C3=CC=CC=C13)C2C1=CC(Br)=CC=C1
InChIKey
InChIKey=PZFUMDQZVSIXIG-UHFFFAOYSA-N
Formula
C29H25BrN2O3
Mass
529.434
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
Phthalides Benzofuranones Dialkylarylamines Secondary alkylarylamines 1,4-diazepines Bromobenzenes Cyclohexenones Aryl bromides Vinylogous amides Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Enamines Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Phthalide - Benzofuranone - Isobenzofuranone - Isocoumaran - Dialkylarylamine - Secondary aliphatic/aromatic amine - Para-diazepine - Bromobenzene - Halobenzene - Cyclohexenone - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Vinylogous amide - Lactone - Amino acid or derivatives - Carboxylic acid ester - Ketone - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Enamine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organobromide - 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