N-(18-bromanyloctadecyl)-6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(18-bromanyloctadecyl)-6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-(18-bromooctadecyl)-6-(4-sec-butylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-(18-bromooctadecyl)-6-(4-butan-2-yl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-(18-bromooctadecyl)-6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-(18-bromooctadecyl)-6-(4-sec-butylpiperazino)nicotinamide Formula: C32H57BrN4O MolecularWeight: 593.72518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCBr

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C32H57BrN4O/c1-3-29(2)36-24-26-37(27-25-36)31-21-20-30(28-35-31)32(38)34-23-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22-33/h20-21,28-29H,3-19,22-27H2,1-2H3,(H,34,38)