Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN(CCCN2C3=C(C=C(Cl)C=C3)C(=NCC2=O)C2=CC=CC=C2F)CC1
InChIKey
InChIKey=DRGNANCAYDSUIB-BTJKTKAUSA-N
Formula
C27H30ClFN4O5
Mass
545.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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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
Alpha amino acids and derivatives N-methylpiperazines Fluorobenzenes Unsaturated fatty acids Aryl chlorides Aryl fluorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Trialkylamines Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Lactam - Ketimine - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Imine - Organohalogen compound - 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