6-(4-butan-2-ylpiperazin-1-yl)-N-(17-oxidanylheptadecyl)pyridine-3-carboxamide

Systemtic Name: 6-(4-butan-2-ylpiperazin-1-yl)-N-(17-oxidanylheptadecyl)pyridine-3-carboxamide Openeye Name: N-(17-hydroxyheptadecyl)-6-(4-sec-butylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: 6-(4-butan-2-yl-1-piperazinyl)-N-(17-hydroxyheptadecyl)-3-pyridinecarboxamide IUPAC Name: 6-(4-butan-2-ylpiperazin-1-yl)-N-(17-hydroxyheptadecyl)pyridine-3-carboxamide Traditional Name: N-(17-hydroxyheptadecyl)-6-(4-sec-butylpiperazino)nicotinamide Formula: C31H56N4O2 MolecularWeight: 516.80194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N4O2/c1-3-28(2)34-22-24-35(25-23-34)30-20-19-29(27-33-30)31(37)32-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26-36/h19-20,27-28,36H,3-18,21-26H2,1-2H3,(H,32,37)