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

Systemtic Name: 5-octadecoxy-1-(phenylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-4-one Openeye Name: 1-benzyl-5-octadecoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-4-one CAS Name: 5-octadecoxy-1-(phenylmethyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 1-benzyl-5-octadecoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-4-one Traditional Name: 1-benzyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-5-stearyloxy-4-pyridone Formula: C39H59N5O2 MolecularWeight: 629.91806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C39H59N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-46-38-34-44(32-35-22-18-17-19-23-35)36(31-37(38)45)33-42-26-28-43(29-27-42)39-40-24-21-25-41-39/h17-19,21-25,31,34H,2-16,20,26-30,32-33H2,1H3