5-[4-[2-(methoxymethyl)-3-pyridin-2-yl-propyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(methoxymethyl)-3-pyridin-2-yl-propyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(methoxymethyl)-3-(2-pyridyl)propyl]piperazin-1-yl]-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-(methoxymethyl)-3-(2-pyridinyl)propyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(methoxymethyl)-3-pyridin-2-ylpropyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-(methoxymethyl)-3-(2-pyridyl)propyl]piperazino]-2-(2-thienyl)valeronitrile Formula: C26H38N4OS MolecularWeight: 454.67112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC(CC2=CC=CC=N2)COC)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC(CC2=CC=CC=N2)COC)(C#N)C3=CC=CS3

InChI

InChI=1S/C26H38N4OS/c1-22(2)26(21-27,25-9-6-17-32-25)10-7-12-29-13-15-30(16-14-29)19-23(20-31-3)18-24-8-4-5-11-28-24/h4-6,8-9,11,17,22-23H,7,10,12-16,18-20H2,1-3H3