5-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(5-chloropyridin-3-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H31ClN4OS/c1-19(2)23(18-25,22-5-3-14-30-22)6-4-7-27-8-10-28(11-9-27)12-13-29-21-15-20(24)16-26-17-21/h3,5,14-17,19H,4,6-13H2,1-2H3