4-[3-cyano-6-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[3-cyano-6-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]benzenecarbonitrile Openeye Name: 4-[1-cyano-4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1-isopropyl-butyl]benzonitrile CAS Name: 4-[3-cyano-6-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-methylhexan-3-yl]benzonitrile IUPAC Name: 4-[3-cyano-6-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methylhexan-3-yl]benzonitrile Traditional Name: 4-[1-cyano-4-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-1-isopropyl-butyl]benzonitrile 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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H33FN4O/c1-22(2)27(21-30,24-6-4-23(20-29)5-7-24)12-3-13-31-14-16-32(17-15-31)18-19-33-26-10-8-25(28)9-11-26/h4-11,22H,3,12-19H2,1-2H3