Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=C(F)C=CC=C1Cl)C(=O)CC1=CC=CC=C1
InChIKey
InChIKey=CEXXYICJEKMXLY-UHFFFAOYSA-N
Formula
C29H26ClFN2O2
Mass
488.99
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
Phenylacetamides Secondary alkylarylamines 1,4-diazepines Fluorobenzenes Chlorobenzenes Cyclohexenones Aryl chlorides Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organofluorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Phenylacetamide - Cyclohexenone - Para-diazepine - Secondary aliphatic/aromatic amine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Enamine - Carboxylic acid derivative - Secondary amine - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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