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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanophenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanophenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-(4-isocyanophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(4-isocyanophenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-(4-isocyanophenyl)-2-isopropyl-valeronitrile Formula: C27H33FN4O MolecularWeight: 448.575523

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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)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C27H33FN4O/c1-22(2)27(21-29,23-5-9-25(30-3)10-6-23)13-4-14-31-15-17-32(18-16-31)19-20-33-26-11-7-24(28)8-12-26/h5-12,22H,4,13-20H2,1-2H3