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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-cyclooctyl-4-oxo-1-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-cyclooctyl-4-keto-1-(2-pyridylmethyl)nicotinamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H36N4O3/c32-25-23(26(33)29-21-12-6-2-1-3-7-13-21)19-30(18-22-14-8-9-15-28-22)20-24(25)27(34)31-16-10-4-5-11-17-31/h8-9,14-15,19-21H,1-7,10-13,16-18H2,(H,29,33)