2-(4-octanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-(4-octanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-(4-octanoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(1-oxooctyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-(4-octanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile Traditional Name: 2-(4-caprylylpiperazino)-2-(3-pyridyl)acetonitrile Formula: C19H28N4O MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2

InChI

InChI=1S/C19H28N4O/c1-2-3-4-5-6-9-19(24)23-13-11-22(12-14-23)18(15-20)17-8-7-10-21-16-17/h7-8,10,16,18H,2-6,9,11-14H2,1H3