2-[6-[4-[2-(4-fluoranyl-2-methoxy-phenoxy)ethyl]piperazin-1-yl]hexan-3-yl]-4-methyl-benzenecarbonitrile

Systemtic Name: 2-[6-[4-[2-(4-fluoranyl-2-methoxy-phenoxy)ethyl]piperazin-1-yl]hexan-3-yl]-4-methyl-benzenecarbonitrile Openeye Name: 2-[1-ethyl-4-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazin-1-yl]butyl]-4-methyl-benzonitrile CAS Name: 2-[6-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]-1-piperazinyl]hexan-3-yl]-4-methylbenzonitrile IUPAC Name: 2-[6-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]piperazin-1-yl]hexan-3-yl]-4-methylbenzonitrile Traditional Name: 2-[1-ethyl-4-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazino]butyl]-4-methyl-benzonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)F)OC)C3=C(C=CC(=C3)C)C#N

Isomeric SMILES

CCC(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)F)OC)C3=C(C=CC(=C3)C)C#N

InChI

InChI=1S/C27H36FN3O2/c1-4-22(25-18-21(2)7-8-23(25)20-29)6-5-11-30-12-14-31(15-13-30)16-17-33-26-10-9-24(28)19-27(26)32-3/h7-10,18-19,22H,4-6,11-17H2,1-3H3