18-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl nitrate

Systemtic Name: 18-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl nitrate Openeye Name: 18-[[6-(4-sec-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl nitrate CAS Name: nitric acid 18-[[[6-(4-butan-2-yl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]octadecyl ester IUPAC Name: 18-[[6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl nitrate Traditional Name: nitric acid 18-[[6-(4-sec-butylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C32H57N5O4 MolecularWeight: 575.82608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N5O4/c1-3-29(2)35-23-25-36(26-24-35)31-21-20-30(28-34-31)32(38)33-22-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-41-37(39)40/h20-21,28-29H,3-19,22-27H2,1-2H3,(H,33,38)