Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=C(F)C=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RTSURMGNNYXQDD-UHFFFAOYSA-N
Formula
C28H24BrFN2O2
Mass
519.414
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives 1,4-diazepines Secondary alkylarylamines Bromobenzenes Cyclohexenones Fluorobenzenes Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Azacyclic compounds Enamines Organic oxides Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Bromobenzene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Para-diazepine - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Enamine - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Amine - 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