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

Systemtic Name: 3-[[4-(4-docosylpiperazin-1-yl)carbonylphenyl]methyl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[[4-(4-docosylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[[4-[(4-docosyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[[4-(4-docosylpiperazine-1-carbonyl)phenyl]methyl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[4-(4-behenylpiperazine-1-carbonyl)benzyl]-2H-1,2,4-oxadiazol-5-one Formula: C36H60N4O3 MolecularWeight: 596.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3=NC(=O)ON3

InChI

InChI=1S/C36H60N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-39-27-29-40(30-28-39)35(41)33-24-22-32(23-25-33)31-34-37-36(42)43-38-34/h22-25H,2-21,26-31H2,1H3,(H,37,38,42)