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

Systemtic Name: 2-cyclohexyl-7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile Openeye Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)heptanenitrile IUPAC Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-ylheptanenitrile Traditional Name: 2-cyclohexyl-7-(4-fluorophenoxy)-2-phenyl-6-piperazino-enanthonitrile Formula: C29H38FN3O MolecularWeight: 463.629923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN3O/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