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

Systemtic Name: 3-[[4-(4-octadecylpiperazin-1-yl)carbonylphenyl]methyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[[4-(4-octadecylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[[4-[(4-octadecyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[[4-(4-octadecylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-(4-stearylpiperazine-1-carbonyl)benzyl]-2H-1,2,4-oxadiazol-5-one Formula: C32H52N4O3 MolecularWeight: 540.78028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

InChI

InChI=1S/C32H52N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-23-25-36(26-24-35)31(37)29-20-18-28(19-21-29)27-30-33-32(38)39-34-30/h18-21H,2-17,22-27H2,1H3,(H,33,34,38)