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

Systemtic Name: N3-cyclooctyl-N5-(1,2-oxazol-3-ylmethyl)-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-N5-(isoxazol-3-ylmethyl)-4-oxo-1-[2-(2-pyridyl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-N5-(3-isoxazolylmethyl)-4-oxo-1-[2-(2-pyridinyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-5-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-N'-(isoxazol-3-ylmethyl)-4-keto-1-[2-(2-pyridyl)ethyl]dinicotinamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3=NOC=C3)CCC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3=NOC=C3)CCC4=CC=CC=N4

InChI

InChI=1S/C26H31N5O4/c32-24-22(25(33)28-16-21-12-15-35-30-21)17-31(14-11-19-8-6-7-13-27-19)18-23(24)26(34)29-20-9-4-2-1-3-5-10-20/h6-8,12-13,15,17-18,20H,1-5,9-11,14,16H2,(H,28,33)(H,29,34)