2-[(2-methylpiperazin-1-yl)methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one

Systemtic Name: 2-[(2-methylpiperazin-1-yl)methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one Openeye Name: 1-benzyl-2-[(2-methylpiperazin-1-yl)methyl]-5-octadecoxy-pyridin-4-one CAS Name: 2-[(2-methyl-1-piperazinyl)methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone IUPAC Name: 1-benzyl-2-[(2-methylpiperazin-1-yl)methyl]-5-octadecoxypyridin-4-one Traditional Name: 1-benzyl-2-[(2-methylpiperazino)methyl]-5-stearyloxy-4-pyridone Formula: C36H59N3O2 MolecularWeight: 565.87256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCNCC2C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCNCC2C)CC3=CC=CC=C3

InChI

InChI=1S/C36H59N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-41-36-31-39(29-33-22-19-18-20-23-33)34(27-35(36)40)30-38-25-24-37-28-32(38)2/h18-20,22-23,27,31-32,37H,3-17,21,24-26,28-30H2,1-2H3