N3-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-N5-(2-thiophen-2-ylethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-N5-(2-thiophen-2-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-4-oxo-1-(2-pyridylmethyl)-N5-[2-(2-thienyl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-4-oxo-1-(2-pyridinylmethyl)-N5-(2-thiophen-2-ylethyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-4-oxo-1-(pyridin-2-ylmethyl)-5-N-(2-thiophen-2-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-1-(2-pyridylmethyl)-N'-[2-(2-thienyl)ethyl]dinicotinamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC3=CC=CS3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC3=CC=CS3)CC4=CC=CC=N4

InChI

InChI=1S/C27H32N4O3S/c32-25-23(26(33)29-15-13-22-12-8-16-35-22)18-31(17-21-11-6-7-14-28-21)19-24(25)27(34)30-20-9-4-2-1-3-5-10-20/h6-8,11-12,14,16,18-20H,1-5,9-10,13,15,17H2,(H,29,33)(H,30,34)