5-(azepan-1-ylcarbonyl)-N-cyclooctyl-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-cyclooctyl-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-cyclooctyl-4-oxo-1-[2-(2-pyridinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-keto-1-[2-(2-pyridyl)ethyl]nicotinamide Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CCC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CCC4=CC=CC=N4

InChI

InChI=1S/C28H38N4O3/c33-26-24(27(34)30-23-13-6-2-1-3-7-14-23)20-31(19-15-22-12-8-9-16-29-22)21-25(26)28(35)32-17-10-4-5-11-18-32/h8-9,12,16,20-21,23H,1-7,10-11,13-15,17-19H2,(H,30,34)