4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2-fluoro-benzonitrile CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-2-fluorobenzonitrile IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxy-benzonitrile Formula: C23H19FN6O5 MolecularWeight: 478.432563

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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)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN6O5/c24-18-10-17(3-2-16(18)11-25)35-23-21(30(31)32)22(26-13-27-23)29-7-5-28(6-8-29)12-15-1-4-19-20(9-15)34-14-33-19/h1-4,9-10,13H,5-8,12,14H2