Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N1CC2=CC=CC=C2N(CC1C(=O)NO)C(=O)C1=C(C=C(F)C=C1)C(F)(F)F
InChIKey
InChIKey=IWSMSYQWHYYHNI-UHFFFAOYSA-N
Formula
C25H21F4N3O6S
Mass
567.51
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
Trifluoromethylbenzenes Benzenesulfonamides 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides Tertiary carboxylic acid amides Sulfonyls Hydroxamic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenol ether - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Hydroxamic acid - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organofluoride - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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