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

Systemtic Name: N3-cyclooctyl-4-oxidanylidene-N5-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-4-oxo-1-[2-(2-pyridyl)ethyl]-N5-(tetrahydrofuran-2-ylmethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-4-oxo-N5-(2-oxolanylmethyl)-1-[2-(2-pyridinyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-4-oxo-5-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-1-[2-(2-pyridyl)ethyl]-N'-(tetrahydrofurfuryl)dinicotinamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3CCCO3)CCC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3CCCO3)CCC4=CC=CC=N4

InChI

InChI=1S/C27H36N4O4/c32-25-23(26(33)29-17-22-12-8-16-35-22)18-31(15-13-20-9-6-7-14-28-20)19-24(25)27(34)30-21-10-4-2-1-3-5-11-21/h6-7,9,14,18-19,21-22H,1-5,8,10-13,15-17H2,(H,29,33)(H,30,34)