CAS Registry Number®
64294-95-7
CAS Name
Setastine
Molecular Formula
C22H28ClNO
Molecular Mass
357.92
Other Names and Identifiers
InChI
InChI=1S/C22H28ClNO/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3
InChIKey
InChIKey=VBSPHZOBAOWFCL-UHFFFAOYSA-N
SMILES
C(OCCN1CCCCCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Canonical SMILES
ClC1=CC=C(C=C1)C(OCCN2CCCCCC2)(C=3C=CC=CC3)C
Other Names for this Substance
- 1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-
- 1-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-1H-azepine
- Setastine
- 1-(2-(1-(4-Chlorophenyl)-1-phenylethoxy)ethyl)azepane
