Compound Identification
SMILES
COC1=CC(=O)N2CCN(CC3=CC(F)=C(F)C=C3)CCC2=C1C(=O)NCC1=CSC=C1
InChIKey
InChIKey=OJTGYKKATZPKOX-UHFFFAOYSA-N
Formula
C23H23F2N3O3S
Mass
459.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridodiazepines
Alternative Parents
Pyridinecarboxylic acids and derivatives Phenylmethylamines Benzylamines Alkyl aryl ethers Aralkylamines Pyridinones Fluorobenzenes Aryl fluorides Vinylogous esters Vinylogous amides Thiophenes Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido-para-diazepine - Pyridine carboxylic acid or derivatives - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Vinylogous amide - Vinylogous ester - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridodiazepines. These are heterocyclic compounds containing a pyridine fused to a diazepine ring. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
External Descriptors
Not available