CAS Registry Number 928774-97-4
Name:
Pyrazolo[3,?4-?d]?azepine, 2,?4,?5,?6,?7,?8-?hexahydro-?6-?(phenylmethyl)?-
2,4,5,6,7,8-Hexahydro-6-(phenylmethyl)pyrazolo[3,4-d]azepine

Chemical Formula: C14H17N3
Exact Mass: 227.14
Molecular Weight: 227.30
m/z: 227.14 (100.0%), 228.15 (15.3%), 228.14 (1.1%), 229.15 (1.1%)

InChI:InChI=1S/C14H17N3/c1-2-4-12(5-3-1)11-17-8-6-13-10-15-16-14(13)7-9-17/h1-5,10H,6-9,11H2,(H,15,16)

InChI Key:PEJXGIXLNJDHNZ-UHFFFAOYSA-N

Canonical SMILES:C1CN(CCC2=C1C=NN2)CC3=CC=CC=C3

Specification

98%

PCT Int. Appl. (2007), WO 2007025596 A1 20070308.