2-propan-2-yl-5-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 2-propan-2-yl-5-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(2-pyridyl)piperazin-1-yl]-2-(2-thienyl)pentanenitrile CAS Name: 2-propan-2-yl-5-[4-(2-pyridinyl)-1-piperazinyl]-2-thiophen-2-ylpentanenitrile IUPAC Name: 2-propan-2-yl-5-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(2-pyridyl)piperazino]-2-(2-thienyl)valeronitrile Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=N2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=N2)(C#N)C3=CC=CS3

InChI

InChI=1S/C21H28N4S/c1-18(2)21(17-22,19-7-5-16-26-19)9-6-11-24-12-14-25(15-13-24)20-8-3-4-10-23-20/h3-5,7-8,10,16,18H,6,9,11-15H2,1-2H3