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

Systemtic Name: 2-butyl-7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile Openeye Name: 2-butyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-butyl-7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)heptanenitrile IUPAC Name: 2-butyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-ylheptanenitrile Traditional Name: 2-butyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazino-enanthonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O/c1-2-3-15-27(22-29,23-8-5-4-6-9-23)16-7-10-25(31-19-17-30-18-20-31)21-32-26-13-11-24(28)12-14-26/h4-6,8-9,11-14,25,30H,2-3,7,10,15-21H2,1H3