1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H28N6O5/c1-35-20-13-18(14-21(36-2)23(20)37-3)15-28-24-22(32(33)34)25(30-17-29-24)31-11-9-26(16-27,10-12-31)19-7-5-4-6-8-19/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,28,29,30)