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CAS Number: 872624-57-2
isopropyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Structure

 isopropyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Name: isopropyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Synonyms:
General Information
Product Number: 872624572

CAS Registry Number 872624-57-2
Name:
1H-?1-?Benzazepine-?1-?carboxylic acid, 2,?3,?4,?5-?tetrahydro-?7-?methyl-?5-?oxo-?8-?(trifluoromethyl)?-?, 1-?methylethyl ester
Isopropyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

 

Chemical Formula: C16H18F3NO3
Exact Mass: 329.12
Molecular Weight: 329.31
m/z: 329.12 (100.0%), 330.13 (17.6%), 331.13 (2.1%)

 

InChI:InChI=1S/C16H18F3NO3/c1-9(2)23-15(22)20-6-4-5-14(21)11-7-10(3)12(8-13(11)20)16(17,18)19/h7-9H,4-6H2,1-3H3

InChI Key:VHXNILWUCGHDNF-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C2C(=C1)C(=O)CCCN2C(=O)OC(C)C)C(F)(F)F

Specification

98%
References

PCT Int. Appl. (2006), WO 2006002342 A1 20060105.  
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