1-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C27H29N7O2 MolecularWeight: 483.56486

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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)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N7O2/c28-20-27(23-9-5-2-6-10-23)11-13-32(14-12-27)25-24(34(35)36)26(30-21-29-25)33-17-15-31(16-18-33)19-22-7-3-1-4-8-22/h1-10,21H,11-19H2