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

Systemtic Name: 5-octadecoxy-1-(1-phenylethyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one CAS Name: 5-octadecoxy-1-(1-phenylethyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-1-(1-phenylethyl)-5-stearyloxy-4-pyridone Formula: C43H65N3O2 MolecularWeight: 655.9951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C43H65N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-48-43-37-46(38(2)40-27-22-19-23-28-40)41(34-42(43)47)36-45-31-29-44(30-32-45)35-39-25-20-18-21-26-39/h18-23,25-28,34,37-38H,3-17,24,29-33,35-36H2,1-2H3