Compound Identification
SMILES
COc1ccc(CN2c3ccccc3[C@@]3([C@H](Oc4nc(C)cc(C)n4)C(=O)N3CC2=O)c2ccc(F)c(C)c2)cc1
InChIKey
InChIKey=USYDDMVMTYCGHR-QLWXXVCSSA-N
Formula
C32H29FN4O4
Mass
552.606
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
Phenylazetidines Alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Beta lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - 2-phenylazetidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azetidine - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen 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