5-[4-(4-cyano-4-thiophen-2-yl-butyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(4-cyano-4-thiophen-2-yl-butyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[4-cyano-4-(2-thienyl)butyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(4-cyano-4-thiophen-2-ylbutyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(4-cyano-4-thiophen-2-ylbutyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[4-cyano-4-(2-thienyl)butyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H36N4S MolecularWeight: 448.66654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCCC(C#N)C2=CC=CS2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCC(C#N)C2=CC=CS2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4S/c1-23(2)27(22-29,25-10-4-3-5-11-25)13-8-15-31-18-16-30(17-19-31)14-6-9-24(21-28)26-12-7-20-32-26/h3-5,7,10-12,20,23-24H,6,8-9,13-19H2,1-2H3