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

Systemtic Name: 3-[[4-(4-hexadecylpiperazin-1-yl)carbonylphenyl]methyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[[4-(4-hexadecylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[[4-[(4-hexadecyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[[4-(4-hexadecylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-(4-cetylpiperazine-1-carbonyl)benzyl]-2H-1,2,4-oxadiazol-5-one Formula: C30H48N4O3 MolecularWeight: 512.72712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-21-23-34(24-22-33)29(35)27-18-16-26(17-19-27)25-28-31-30(36)37-32-28/h16-19H,2-15,20-25H2,1H3,(H,31,32,36)