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

Systemtic Name: methyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H25FN6O4 MolecularWeight: 444.459403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6O4/c1-32-21(29)15-6-8-26(9-7-15)19-18(28(30)31)20(24-14-23-19)27-12-10-25(11-13-27)17-4-2-16(22)3-5-17/h2-5,14-15H,6-13H2,1H3