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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-piperonyl-nicotinamide Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O5/c1-17(2)13-27-14-19(23(29)20(15-27)25(31)28-9-5-3-4-6-10-28)24(30)26-12-18-7-8-21-22(11-18)33-16-32-21/h7-8,11,14-15,17H,3-6,9-10,12-13,16H2,1-2H3,(H,26,30)