N-(18-bromanyloctadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(18-bromanyloctadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-(18-bromooctadecyl)-6-(4-isobutylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-(18-bromooctadecyl)-6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-(18-bromooctadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: N-(18-bromooctadecyl)-6-(4-isobutylpiperazino)nicotinamide Formula: C32H57BrN4O MolecularWeight: 593.72518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCBr

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C32H57BrN4O/c1-29(2)28-36-23-25-37(26-24-36)31-20-19-30(27-35-31)32(38)34-22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-33/h19-20,27,29H,3-18,21-26,28H2,1-2H3,(H,34,38)