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

Systemtic Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzamide Openeye Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzamide CAS Name: 3-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzamide IUPAC Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzamide Traditional Name: 3-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxybenzamide Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O6/c24-21(30)16-2-1-3-17(11-16)35-23-20(29(31)32)22(25-13-26-23)28-8-6-27(7-9-28)12-15-4-5-18-19(10-15)34-14-33-18/h1-5,10-11,13H,6-9,12,14H2,(H2,24,30)