N-(17-bromanylheptadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(17-bromanylheptadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-(17-bromoheptadecyl)-6-(4-isobutylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-(17-bromoheptadecyl)-6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-(17-bromoheptadecyl)-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: N-(17-bromoheptadecyl)-6-(4-isobutylpiperazino)nicotinamide Formula: C31H55BrN4O MolecularWeight: 579.6986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55BrN4O/c1-28(2)27-35-22-24-36(25-23-35)30-19-18-29(26-34-30)31(37)33-21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-32/h18-19,26,28H,3-17,20-25,27H2,1-2H3,(H,33,37)