4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphthalonitrile CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxyphthalonitrile Formula: C24H19N7O5 MolecularWeight: 485.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=C(C=C5)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=C(C=C5)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N7O5/c25-11-17-2-3-19(10-18(17)12-26)36-24-22(31(32)33)23(27-14-28-24)30-7-5-29(6-8-30)13-16-1-4-20-21(9-16)35-15-34-20/h1-4,9-10,14H,5-8,13,15H2