Compound Identification
SMILES
OC(=O)C(F)(F)F.CN1C2=C(C=C(CCCOC3=NC(N)=NC(C)=C3)C=C2)C(=O)N(CC1=O)C(CC(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=DCYANWPCGFSVCO-UHFFFAOYSA-N
Formula
C29H30F3N5O7
Mass
617.582
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
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 Aminopyrimidines and derivatives Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Amino acids Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organofluorides Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid - Carboxamide group - Amino acid or derivatives - Lactam - Ether - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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