1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C25H26N8O2 MolecularWeight: 470.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N8O2/c26-18-25(20-6-2-1-3-7-20)9-12-31(13-10-25)23-22(33(34)35)24(29-19-28-23)32-16-14-30(15-17-32)21-8-4-5-11-27-21/h1-8,11,19H,9-10,12-17H2