Compound Identification
SMILES
CCCCC(=O)N1C(C2=CC(Br)=CC=C2)C2=C(CC(C)(C)CC2=O)NC2=CC=CC=C12
InChIKey
InChIKey=UHHHOWWWEQCALS-UHFFFAOYSA-N
Formula
C26H29BrN2O2
Mass
481.434
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
Secondary alkylarylamines Cyclohexenones Bromobenzenes 1,4-diazepines Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Para-diazepine - Bromobenzene - Cyclohexenone - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Azacycle - Secondary amine - Enamine - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen 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