17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl nitrate

Systemtic Name: 17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl nitrate Openeye Name: 17-[[6-(4-sec-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl nitrate CAS Name: nitric acid 17-[[[6-(4-butan-2-yl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl nitrate Traditional Name: nitric acid 17-[[6-(4-sec-butylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C31H55N5O4 MolecularWeight: 561.7995

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C31H55N5O4/c1-3-28(2)34-22-24-35(25-23-34)30-20-19-29(27-33-30)31(37)32-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26-40-36(38)39/h19-20,27-28H,3-18,21-26H2,1-2H3,(H,32,37)