3-[4-[(4-octadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one

Systemtic Name: 3-[4-[(4-octadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[4-[(4-octadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[4-[(4-octadecyl-1-piperazinyl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[4-[(4-octadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-[(4-stearylpiperazino)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Formula: C31H52N4O2 MolecularWeight: 512.77018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)ON3

InChI

InChI=1S/C31H52N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-23-25-35(26-24-34)27-28-18-20-29(21-19-28)30-32-31(36)37-33-30/h18-21H,2-17,22-27H2,1H3,(H,32,33,36)