5-[4-[2-[6-(methoxymethyl)pyridin-2-yl]oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-[6-(methoxymethyl)pyridin-2-yl]oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-[[6-(methoxymethyl)-2-pyridyl]oxy]ethyl]piperazin-1-yl]-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-[[6-(methoxymethyl)-2-pyridinyl]oxy]ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-[6-(methoxymethyl)pyridin-2-yl]oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-[[6-(methoxymethyl)-2-pyridyl]oxy]ethyl]piperazino]-2-(2-thienyl)valeronitrile Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=N2)COC)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=N2)COC)(C#N)C3=CC=CS3

InChI

InChI=1S/C25H36N4O2S/c1-21(2)25(20-26,23-8-5-18-32-23)10-6-11-28-12-14-29(15-13-28)16-17-31-24-9-4-7-22(27-24)19-30-3/h4-5,7-9,18,21H,6,10-17,19H2,1-3H3