2-[4-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazino]-2-phenyl-acetonitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27N3O2/c1-18-7-9-21(10-8-18)27-17-20(26)16-24-11-13-25(14-12-24)22(15-23)19-5-3-2-4-6-19/h2-10,20,22,26H,11-14,16-17H2,1H3