4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-thiophen-2-yl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-thiophen-2-yl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-1-(2-thienyl)cyclohexanecarbonitrile CAS Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-1-thiophen-2-yl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-thiophen-2-ylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]-1-(2-thienyl)cyclohexanecarbonitrile Formula: C24H30FN3O2S MolecularWeight: 443.577303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O)(C#N)C4=CC=CS4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O)(C#N)C4=CC=CS4

InChI

InChI=1S/C24H30FN3O2S/c25-19-3-5-22(6-4-19)30-17-21(29)16-27-11-13-28(14-12-27)20-7-9-24(18-26,10-8-20)23-2-1-15-31-23/h1-6,15,20-21,29H,7-14,16-17H2