Compound Identification
SMILES
COC1=CC=CC(=C1)C1N(C(=O)C(F)(F)F)C2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JWGCCRBHNDZREE-UHFFFAOYSA-N
Formula
C28H22ClF3N2O3
Mass
526.94
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
Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines 1,4-diazepines Alkyl aryl ethers Cyclohexenones Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Para-diazepine - Alkyl aryl ether - Cyclohexenone - Chlorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Secondary amine - Enamine - Ether - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Alkyl fluoride - Alkyl halide - Amine - Organooxygen 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