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

Systemtic Name: 2-[4-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]piperazino]-2-phenyl-acetonitrile Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

InChI

InChI=1S/C23H29N3O3/c1-2-28-21-8-10-22(11-9-21)29-18-20(27)17-25-12-14-26(15-13-25)23(16-24)19-6-4-3-5-7-19/h3-11,20,23,27H,2,12-15,17-18H2,1H3