5-[4-[2-(4-fluoranylphenoxy)ethyl]-3-(hydroxymethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]-3-(hydroxymethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-3-(hydroxymethyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-3-(hydroxymethyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-3-(hydroxymethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-3-methylol-piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(C(C1)CO)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(C(C1)CO)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O2/c1-22(2)27(21-29,23-7-4-3-5-8-23)13-6-14-30-15-16-31(25(19-30)20-32)17-18-33-26-11-9-24(28)10-12-26/h3-5,7-12,22,25,32H,6,13-20H2,1-2H3