Compound Identification
SMILES
COC1=C(OCCCCOC2=C(OC)C=C3C(=C2)N=C[C@@H]2C[C@H](C)CN2C3=O)C=C2NC[C@@H]3C[C@H](F)CN3C(=O)C2=C1
InChIKey
InChIKey=QMLFRGDBPXYFJA-TUFLPTIASA-N
Formula
C31H37FN4O6
Mass
580.657
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Anisoles Secondary alkylarylamines Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Pyrrolidines Tertiary amines Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Imines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Anisole - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organohalogen compound - Alkyl halide - Imine - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available