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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16BrN3O3
Molecular Weight 402.242
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (3S)-7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepine-3-propanoate

SMILES

COC(=O)CC[C@@H]1N=C(C2=NC=CC=C2)C3=C(NC1=O)C=CC(Br)=C3

InChI

InChIKey=PITXBYGUVDYTBQ-HNNXBMFYSA-N
InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl (3S)-7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepine-3-propanoate
Systematic Name English
(S)-Methyl 3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate
Preferred Name English
Methyl (S)-3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate
Systematic Name English
1H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-, methyl ester, (3S)-
Systematic Name English
Code System Code Type Description
CAS
308242-23-1
Created by admin on Wed Apr 02 21:14:09 GMT 2025 , Edited by admin on Wed Apr 02 21:14:09 GMT 2025
PRIMARY
PUBCHEM
58780386
Created by admin on Wed Apr 02 21:14:09 GMT 2025 , Edited by admin on Wed Apr 02 21:14:09 GMT 2025
PRIMARY
FDA UNII
97M5BAA7LU
Created by admin on Wed Apr 02 21:14:09 GMT 2025 , Edited by admin on Wed Apr 02 21:14:09 GMT 2025
PRIMARY
NIH
NCATS
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