3-(4-fluoranylphenoxy)-2-(2-oxidanylpropyl)-1-phenyl-2-piperazin-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: 3-(4-fluoranylphenoxy)-2-(2-oxidanylpropyl)-1-phenyl-2-piperazin-1-yl-cyclohexane-1-carbonitrile Openeye Name: 3-(4-fluorophenoxy)-2-(2-hydroxypropyl)-1-phenyl-2-piperazin-1-yl-cyclohexanecarbonitrile CAS Name: 3-(4-fluorophenoxy)-2-(2-hydroxypropyl)-1-phenyl-2-(1-piperazinyl)-1-cyclohexanecarbonitrile IUPAC Name: 3-(4-fluorophenoxy)-2-(2-hydroxypropyl)-1-phenyl-2-piperazin-1-ylcyclohexane-1-carbonitrile Traditional Name: 3-(4-fluorophenoxy)-2-(2-hydroxypropyl)-1-phenyl-2-piperazino-cyclohexanecarbonitrile Formula: C26H32FN3O2 MolecularWeight: 437.549583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C(CCCC1(C#N)C2=CC=CC=C2)OC3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

CC(CC1(C(CCCC1(C#N)C2=CC=CC=C2)OC3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C26H32FN3O2/c1-20(31)18-26(30-16-14-29-15-17-30)24(32-23-11-9-22(27)10-12-23)8-5-13-25(26,19-28)21-6-3-2-4-7-21/h2-4,6-7,9-12,20,24,29,31H,5,8,13-18H2,1H3