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

Systemtic Name: 5-octadecoxy-1-(phenylmethyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridin-4-one Openeye Name: 1-benzyl-2-[(4-benzylpiperazin-1-yl)methyl]-5-octadecoxy-pyridin-4-one CAS Name: 5-octadecoxy-1-(phenylmethyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 1-benzyl-2-[(4-benzylpiperazin-1-yl)methyl]-5-octadecoxypyridin-4-one Traditional Name: 1-benzyl-2-[(4-benzylpiperazino)methyl]-5-stearyloxy-4-pyridone Formula: C42H63N3O2 MolecularWeight: 641.96852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C42H63N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-47-42-37-45(35-39-26-21-18-22-27-39)40(33-41(42)46)36-44-30-28-43(29-31-44)34-38-24-19-17-20-25-38/h17-22,24-27,33,37H,2-16,23,28-32,34-36H2,1H3