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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-(o-tolyl)valeronitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN2CCN(CC2)CCOC3=CC=C(C=C3)F)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(CCCN2CCN(CC2)CCOC3=CC=C(C=C3)F)(C#N)C(C)C

InChI

InChI=1S/C27H36FN3O/c1-22(2)27(21-29,26-8-5-4-7-23(26)3)13-6-14-30-15-17-31(18-16-30)19-20-32-25-11-9-24(28)10-12-25/h4-5,7-12,22H,6,13-20H2,1-3H3