Compound Identification
SMILES
CCC1=CC=CC(=C1)[C@@]1(NCC(=O)N(CC2=C(F)C=C(F)C=C2F)C2=C1C=C(Cl)C=C2)[C@H](OC1=CC(C)=CC(C)=N1)C(O)=O
InChIKey
InChIKey=YSXIBLOUWYBYAZ-VTIYRKAUSA-N
Formula
C33H29ClF3N3O4
Mass
624.06
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
Phenylpropanoic acids Alpha amino acids and derivatives Alkyl aryl ethers Aralkylamines Fluorobenzenes Methylpyridines Aryl chlorides Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Lactams Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Alkyl aryl ether - Halobenzene - Aralkylamine - Fluorobenzene - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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