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

Systemtic Name: 2-(4-hexadecanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-(4-hexadecanoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(1-oxohexadecyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-(4-hexadecanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile Traditional Name: 2-(4-hexadecanoylpiperazino)-2-(3-pyridyl)acetonitrile Formula: C27H44N4O MolecularWeight: 440.66446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(32)31-21-19-30(20-22-31)26(23-28)25-16-15-18-29-24-25/h15-16,18,24,26H,2-14,17,19-22H2,1H3