ethyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H27FN6O4 MolecularWeight: 458.485983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN6O4/c1-2-33-22(30)16-4-3-9-28(14-16)21-19(29(31)32)20(24-15-25-21)27-12-10-26(11-13-27)18-7-5-17(23)6-8-18/h5-8,15-16H,2-4,9-14H2,1H3