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

Systemtic Name: N3-cyclooctyl-4-oxidanylidene-N5-phenethyl-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-4-oxo-N5-phenethyl-1-(2-pyridylmethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-4-oxo-N5-phenethyl-1-(2-pyridinylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-4-oxo-5-N-phenethyl-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-N'-phenethyl-1-(2-pyridylmethyl)dinicotinamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C29H34N4O3/c34-27-25(28(35)31-18-16-22-11-5-4-6-12-22)20-33(19-24-15-9-10-17-30-24)21-26(27)29(36)32-23-13-7-2-1-3-8-14-23/h4-6,9-12,15,17,20-21,23H,1-3,7-8,13-14,16,18-19H2,(H,31,35)(H,32,36)