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

Systemtic Name: 2-(4-octanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-(4-octanoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-(1-oxooctyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-(4-octanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-(4-caprylylpiperazino)-2-(3-pyridyl)acetonitrile hydrochloride Formula: C19H29ClN4O MolecularWeight: 364.91276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O.ClH/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;1H