6-(4-butylpiperazin-1-yl)-N-(17-iodanylheptadecyl)pyridine-3-carboxamide

Systemtic Name: 6-(4-butylpiperazin-1-yl)-N-(17-iodanylheptadecyl)pyridine-3-carboxamide Openeye Name: 6-(4-butylpiperazin-1-yl)-N-(17-iodoheptadecyl)pyridine-3-carboxamide CAS Name: 6-(4-butyl-1-piperazinyl)-N-(17-iodoheptadecyl)-3-pyridinecarboxamide IUPAC Name: 6-(4-butylpiperazin-1-yl)-N-(17-iodoheptadecyl)pyridine-3-carboxamide Traditional Name: 6-(4-butylpiperazino)-N-(17-iodoheptadecyl)nicotinamide Formula: C31H55IN4O MolecularWeight: 626.69907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCI

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCI

InChI

InChI=1S/C31H55IN4O/c1-2-3-23-35-24-26-36(27-25-35)30-20-19-29(28-34-30)31(37)33-22-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-32/h19-20,28H,2-18,21-27H2,1H3,(H,33,37)