(E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(4-oxidanylidenepyridin-1-yl)phenyl]but-3-enamide

Systemtic Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(4-oxidanylidenepyridin-1-yl)phenyl]but-3-enamide Openeye Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(4-oxo-1-pyridyl)phenyl]but-3-enamide CAS Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-[4-(4-oxo-1-pyridinyl)phenyl]-3-butenamide IUPAC Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-[4-(4-oxopyridin-1-yl)phenyl]but-3-enamide Traditional Name: (E)-N-[3-[homoveratryl(methyl)amino]propyl]-4-[4-(4-keto-1-pyridyl)phenyl]but-3-enamide Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)CC=CC1=CC=C(C=C1)N2C=CC(=O)C=C2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCNC(=O)C/C=C/C1=CC=C(C=C1)N2C=CC(=O)C=C2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H35N3O4/c1-31(19-14-24-10-13-27(35-2)28(22-24)36-3)18-5-17-30-29(34)7-4-6-23-8-11-25(12-9-23)32-20-15-26(33)16-21-32/h4,6,8-13,15-16,20-22H,5,7,14,17-19H2,1-3H3,(H,30,34)/b6-4+