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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O5/c1-3-17(2)28-14-19(23(29)20(15-28)25(31)27-10-6-4-5-7-11-27)24(30)26-13-18-8-9-21-22(12-18)33-16-32-21/h8-9,12,14-15,17H,3-7,10-11,13,16H2,1-2H3,(H,26,30)