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

Systemtic Name: ethyl 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-2-27-18(24)14-7-11-22(12-8-14)17-15(23(25)26)16(19-13-20-17)21-9-5-3-4-6-10-21/h13-14H,2-12H2,1H3