16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]hexadecyl nitrate

Systemtic Name: 16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]hexadecyl nitrate Openeye Name: 16-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl nitrate CAS Name: nitric acid 16-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]hexadecyl nitrate Traditional Name: nitric acid 16-[[6-(4-isobutylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C30H53N5O4 MolecularWeight: 547.77292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53N5O4/c1-27(2)26-33-20-22-34(23-21-33)29-18-17-28(25-32-29)30(36)31-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-39-35(37)38/h17-18,25,27H,3-16,19-24,26H2,1-2H3,(H,31,36)