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

Systemtic Name: 2-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanamide Openeye Name: 2-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]acetamide CAS Name: 2-[4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl]acetamide IUPAC Name: 2-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl]acetamide Traditional Name: 2-[4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxyphenyl]acetamide Formula: C24H24N6O6 MolecularWeight: 492.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O6/c25-21(31)12-16-1-4-18(5-2-16)36-24-22(30(32)33)23(26-14-27-24)29-9-7-28(8-10-29)13-17-3-6-19-20(11-17)35-15-34-19/h1-6,11,14H,7-10,12-13,15H2,(H2,25,31)