ethyl 1-[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-cyano-4-phenyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-cyano-4-phenyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-cyano-4-phenylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-cyano-4-phenyl-piperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)(C#N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)(C#N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O4/c1-2-34-23(31)18-8-12-28(13-9-18)21-20(30(32)33)22(27-17-26-21)29-14-10-24(16-25,11-15-29)19-6-4-3-5-7-19/h3-7,17-18H,2,8-15H2,1H3