5-(azepan-1-ylcarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-isobutyl-4-keto-nicotinamide Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C26H33N3O5/c1-18(2)14-28-15-20(24(30)21(16-28)26(32)29-11-7-3-4-8-12-29)25(31)27-13-19-17-33-22-9-5-6-10-23(22)34-19/h5-6,9-10,15-16,18-19H,3-4,7-8,11-14,17H2,1-2H3,(H,27,31)