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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53N5O4/c1-3-27(2)33-21-23-34(24-22-33)29-19-18-28(26-32-29)30(36)31-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-39-35(37)38/h18-19,26-27H,3-17,20-25H2,1-2H3,(H,31,36)