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

Systemtic Name: 4-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-pyridin-2-yl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-1-(2-pyridyl)cyclohexanecarbonitrile CAS Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]-1-(2-pyridinyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-pyridin-2-ylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]-1-(2-pyridyl)cyclohexanecarbonitrile Formula: C25H31FN4O2 MolecularWeight: 438.537643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O)(C#N)C4=CC=CC=N4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O)(C#N)C4=CC=CC=N4

InChI

InChI=1S/C25H31FN4O2/c26-20-4-6-23(7-5-20)32-18-22(31)17-29-13-15-30(16-14-29)21-8-10-25(19-27,11-9-21)24-3-1-2-12-28-24/h1-7,12,21-22,31H,8-11,13-18H2