Compound Identification
SMILES
CC1=CC2=C(NC3=C(C(N2C(=O)C2=CC=CS2)C2=CC=C(F)C=C2)C(=O)CC(C3)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=OTKRUQXKDGIMET-UHFFFAOYSA-N
Formula
C31H25FN2O2S
Mass
508.61
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
Diaminotoluenes Thiophene carboxamides 2-heteroaryl carboxamides Secondary alkylarylamines 1,4-diazepines Fluorobenzenes Cyclohexenones Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Enamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Diaminotoluene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - Para-diazepine - Fluorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Secondary amine - Enamine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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