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

Systemtic Name: 3-[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[4-[(4-hexadecyl-1-piperazinyl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[4-[(4-hexadecylpiperazin-1-yl)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-[(4-cetylpiperazino)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one Formula: C29H48N4O2 MolecularWeight: 484.71702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=O)ON3

InChI

InChI=1S/C29H48N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-21-23-33(24-22-32)25-26-16-18-27(19-17-26)28-30-29(34)35-31-28/h16-19H,2-15,20-25H2,1H3,(H,30,31,34)