N-[4-(2-cyclopentylethynyl)-6-(octanoylamino)pyridin-2-yl]octanamide

Systemtic Name: N-[4-(2-cyclopentylethynyl)-6-(octanoylamino)pyridin-2-yl]octanamide Openeye Name: N-[4-(2-cyclopentylethynyl)-6-(octanoylamino)-2-pyridyl]octanamide CAS Name: N-[4-(2-cyclopentylethynyl)-6-(1-oxooctylamino)-2-pyridinyl]octanamide IUPAC Name: N-[4-(2-cyclopentylethynyl)-6-(octanoylamino)pyridin-2-yl]octanamide Traditional Name: N-[6-(caprylylamino)-4-(2-cyclopentylethynyl)-2-pyridyl]caprylamide Formula: C28H38N3O2 MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=CC(=N1)NC(=O)CCCCCCC)C#C[C]2[CH][CH][CH][CH]2

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=CC(=N1)NC(=O)CCCCCCC)C#C[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C28H38N3O2/c1-3-5-7-9-11-17-27(32)30-25-21-24(20-19-23-15-13-14-16-23)22-26(29-25)31-28(33)18-12-10-8-6-4-2/h13-16,21-22H,3-12,17-18H2,1-2H3,(H2,29,30,31,32,33)