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

Systemtic Name: 3-[[4-(4-icosylpiperazin-1-yl)carbonylphenyl]methyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[[4-(4-icosylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[[4-[(4-eicosyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[[4-(4-icosylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-(4-arachylpiperazine-1-carbonyl)benzyl]-2H-1,2,4-oxadiazol-5-one Formula: C34H56N4O3 MolecularWeight: 568.83344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

InChI

InChI=1S/C34H56N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-25-27-38(28-26-37)33(39)31-22-20-30(21-23-31)29-32-35-34(40)41-36-32/h20-23H,2-19,24-29H2,1H3,(H,35,36,40)