1-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(5-nitro-6-piperidino-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H24N6O3/c1-13(23)19-8-5-9-21(11-10-19)16-14(22(24)25)15(17-12-18-16)20-6-3-2-4-7-20/h12H,2-11H2,1H3