Compound Identification
SMILES
CN1CCN(CC1)C(\N=O)=C1\CN=C(C2=CCC(=O)C=C2F)C2=C(N1)C=CC(Cl)=C2
InChIKey
InChIKey=NHUGHTPOTDYWKZ-VZCXRCSSSA-N
Formula
C21H21ClFN5O2
Mass
429.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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
Secondary alkylarylamines N-methylpiperazines Aryl chlorides Benzenoids Vinylogous halides Trialkylamines Cyclic ketones Ketimines Propargyl-type 1,3-dipolar organic compounds Vinyl fluorides Fluoroalkenes Enamines Azacyclic compounds C-nitroso compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous halide - Ketimine - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Vinyl halide - Vinyl fluoride - Organic 1,3-dipolar compound - Organic nitroso compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Haloalkene - C-nitroso compound - Fluoroalkene - Enamine - Organic nitrogen compound - Organochloride - Organohalogen compound - Amine - Imine - Organofluoride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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