2-cyclohexyl-7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile hydrochloride

Systemtic Name: 2-cyclohexyl-7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile hydrochloride Openeye Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile hydrochloride CAS Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)heptanenitrile hydrochloride IUPAC Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-ylheptanenitrile hydrochloride Traditional Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazino-enanthonitrile hydrochloride Formula: C29H39ClFN3O MolecularWeight: 500.090863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCCC(COC2=CC=C(C=C2)F)N3CCNCC3)(C#N)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCC(CC1)C(CCCC(COC2=CC=C(C=C2)F)N3CCNCC3)(C#N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C29H38FN3O.ClH/c30-26-13-15-28(16-14-26)34-22-27(33-20-18-32-19-21-33)12-7-17-29(23-31,24-8-3-1-4-9-24)25-10-5-2-6-11-25;/h1,3-4,8-9,13-16,25,27,32H,2,5-7,10-12,17-22H2;1H