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

Systemtic Name: ethyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-2-32-22(29)17-8-10-26(11-9-17)20-19(28(30)31)21(24-16-23-20)27-14-12-25(13-15-27)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3