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

Systemtic Name: 3-[[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[[4-[(4-hexadecyl-1-piperazinyl)methyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-[(4-cetylpiperazino)methyl]benzyl]-2H-1,2,4-oxadiazol-5-one Formula: C30H50N4O2 MolecularWeight: 498.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)CC3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)CC3=NC(=O)ON3

InChI

InChI=1S/C30H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-21-23-34(24-22-33)26-28-18-16-27(17-19-28)25-29-31-30(35)36-32-29/h16-19H,2-15,20-26H2,1H3,(H,31,32,35)