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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N5O4/c1-28(2)27-34-21-23-35(24-22-34)30-19-18-29(26-33-30)31(37)32-20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-40-36(38)39/h18-19,26,28H,3-17,20-25,27H2,1-2H3,(H,32,37)