1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(5-nitro-6-piperidino-pyrimidin-4-yl)-4-phenyl-isonipecotonitrile Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c22-15-21(17-7-3-1-4-8-17)9-13-26(14-10-21)20-18(27(28)29)19(23-16-24-20)25-11-5-2-6-12-25/h1,3-4,7-8,16H,2,5-6,9-14H2