methyl 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H25N5O4/c1-26-17(23)13-6-10-21(11-7-13)16-14(22(24)25)15(18-12-19-16)20-8-4-2-3-5-9-20/h12-13H,2-11H2,1H3