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CAS Number: 1167416-50-3
tert-butyl 9-cyano-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

Structure

 tert-butyl 9-cyano-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate
Name: tert-butyl 9-cyano-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate
Synonyms:
General Information
Product Number: 1167416503

CAS Registry Number 1167416-50-3
Name:
1,​4-​Benzoxazepine-​4(5H)​-​carboxylic acid, 9-​cyano-​2,​3-​dihydro-​, 1,​1-​dimethylethyl ester

 

Chemical Formula: C15H18N2O3
Exact Mass: 274.13
Molecular Weight: 274.32
m/z: 274.13 (100.0%), 275.14 (16.5%), 276.14 (1.9%)

 

InChI:InChI=1S/C15H18N2O3/c1-15(2,3)20-14(18)17-7-8-19-13-11(9-16)5-4-6-12(13)10-17/h4-6H,7-8,10H2,1-3H3

InChI Key:VRZVHAYYPYJLAY-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C1)C#N

Specification

98%
References
  1. (1) Demont, Emmanuel H.; Journal of Medicinal Chemistry 2011, V54(19), P6724-6733 CAPLUS
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