ethyl 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O4/c1-2-32-21(29)16-6-9-26(10-7-16)19-18(28(30)31)20(24-15-23-19)27-13-11-25(12-14-27)17-5-3-4-8-22-17/h3-5,8,15-16H,2,6-7,9-14H2,1H3