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

Systemtic Name: methyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4/c1-31-21(28)16-7-9-25(10-8-16)19-18(27(29)30)20(23-15-22-19)26-13-11-24(12-14-26)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3