N-(1,3-benzodioxol-5-ylmethyl)-6-[[butyl-(phenylmethyl)amino]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[butyl-(phenylmethyl)amino]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[benzyl(butyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[butyl-(phenylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[benzyl(butyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-[[benzyl(butyl)amino]methyl]-2-keto-N-piperonyl-1H-pyridine-3-carboxamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H29N3O4/c1-2-3-13-29(16-19-7-5-4-6-8-19)17-21-10-11-22(26(31)28-21)25(30)27-15-20-9-12-23-24(14-20)33-18-32-23/h4-12,14H,2-3,13,15-18H2,1H3,(H,27,30)(H,28,31)