5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(4-methoxyphenyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-(4-methoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-(4-methoxyphenyl)valeronitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H36FN3O2/c1-22(2)27(21-29,23-5-9-25(32-3)10-6-23)13-4-14-30-15-17-31(18-16-30)19-20-33-26-11-7-24(28)8-12-26/h5-12,22H,4,13-20H2,1-3H3