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

Systemtic Name: 5-octadecoxy-1-(phenylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one Openeye Name: 1-benzyl-5-octadecoxy-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one CAS Name: 5-octadecoxy-1-(phenylmethyl)-2-[(4-phenyl-1-piperazinyl)methyl]-4-pyridinone IUPAC Name: 1-benzyl-5-octadecoxy-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one Traditional Name: 1-benzyl-2-[(4-phenylpiperazino)methyl]-5-stearyloxy-4-pyridone Formula: C41H61N3O2 MolecularWeight: 627.94194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H61N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-46-41-36-44(34-37-24-19-17-20-25-37)39(33-40(41)45)35-42-28-30-43(31-29-42)38-26-21-18-22-27-38/h17-22,24-27,33,36H,2-16,23,28-32,34-35H2,1H3