Compound Identification
SMILES
OC(=O)C1=CC2=C(NC(=O)N2C2CCN(CC2)C(=O)N[C@@H]2N=C(C3=CC=CC=C3)C3=CC=CC=C3N(CC(F)(F)F)C2=O)C=C1
InChIKey
InChIKey=MXGDZMYIWMUPHA-SANMLTNESA-N
Formula
C31H27F3N6O5
Mass
620.589
Taxonomic Classification
Taxonomy Tree
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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
Alpha amino acids and derivatives Piperidinecarboxamides Benzimidazoles Benzene and substituted derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Ketimines Lactams Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Benzimidazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Urea - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Azacycle - Organofluoride - Imine - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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