1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C20H23FN6O4 MolecularWeight: 430.432823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN6O4/c21-15-1-3-16(4-2-15)24-9-11-26(12-10-24)19-17(27(30)31)18(22-13-23-19)25-7-5-14(6-8-25)20(28)29/h1-4,13-14H,5-12H2,(H,28,29)