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

Systemtic Name: 4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C26H32FN3O2 MolecularWeight: 437.549583

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O2/c27-22-6-8-25(9-7-22)32-19-24(31)18-29-14-16-30(17-15-29)23-10-12-26(20-28,13-11-23)21-4-2-1-3-5-21/h1-9,23-24,31H,10-19H2