8-[3,4-bis[1-[(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]octanenitrile

Systemtic Name: 8-[3,4-bis[1-[(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]octanenitrile Openeye Name: 8-[3,4-bis[1-[(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]octanenitrile CAS Name: 8-[3,4-bis[1-[(4-fluorophenyl)methoxy]ethyl]-1-piperazinyl]octanenitrile IUPAC Name: 8-[3,4-bis[1-[(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]octanenitrile Traditional Name: 8-[3,4-bis[1-(4-fluorobenzyl)oxyethyl]piperazino]caprylonitrile Formula: C30H41F2N3O2 MolecularWeight: 513.662246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1C(C)OCC2=CC=C(C=C2)F)CCCCCCCC#N)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C1CN(CCN1C(C)OCC2=CC=C(C=C2)F)CCCCCCCC#N)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C30H41F2N3O2/c1-24(36-22-26-9-13-28(31)14-10-26)30-21-34(18-8-6-4-3-5-7-17-33)19-20-35(30)25(2)37-23-27-11-15-29(32)16-12-27/h9-16,24-25,30H,3-8,18-23H2,1-2H3