2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-1-(4-phenylmethoxyphenyl)pyridin-4-one

Systemtic Name: 2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-1-(4-phenylmethoxyphenyl)pyridin-4-one Openeye Name: 1-(4-benzyloxyphenyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-pyridin-4-one CAS Name: 2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-1-(4-phenylmethoxyphenyl)-4-pyridinone IUPAC Name: 2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-1-(4-phenylmethoxyphenyl)pyridin-4-one Traditional Name: 1-(4-benzoxyphenyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-stearyloxy-4-pyridone Formula: C42H65N3O3 MolecularWeight: 659.9838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CNCCCN(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CNCCCN(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C42H65N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-47-42-35-45(39(33-41(42)46)34-43-30-23-31-44(2)3)38-26-28-40(29-27-38)48-36-37-24-20-19-21-25-37/h19-21,24-29,33,35,43H,4-18,22-23,30-32,34,36H2,1-3H3