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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C32H57N5O4/c1-29(2)28-35-22-24-36(25-23-35)31-20-19-30(27-34-31)32(38)33-21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-41-37(39)40/h19-20,27,29H,3-18,21-26,28H2,1-2H3,(H,33,38)