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

Systemtic Name: 5-[4-[2-(6-bromanylpyridin-2-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-[(6-bromo-2-pyridyl)oxy]ethyl]piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(6-bromopyridin-2-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-[(6-bromo-2-pyridyl)oxy]ethyl]piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C23H31BrN4OS MolecularWeight: 491.48744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=NC(=CC=C2)Br)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=NC(=CC=C2)Br)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H31BrN4OS/c1-19(2)23(18-25,20-6-4-17-30-20)9-5-10-27-11-13-28(14-12-27)15-16-29-22-8-3-7-21(24)26-22/h3-4,6-8,17,19H,5,9-16H2,1-2H3