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

Systemtic Name: 3-[3-(4-icosylpiperazin-1-yl)carbonylphenyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[3-(4-icosylpiperazine-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[3-[(4-eicosyl-1-piperazinyl)-oxomethyl]phenyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[3-(4-icosylpiperazine-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[3-(4-arachylpiperazine-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one Formula: C33H54N4O3 MolecularWeight: 554.80686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC(=O)ON3

InChI

InChI=1S/C33H54N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-24-26-37(27-25-36)32(38)30-22-20-21-29(28-30)31-34-33(39)40-35-31/h20-22,28H,2-19,23-27H2,1H3,(H,34,35,39)