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

Systemtic Name: 1-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone Openeye Name: 1-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone CAS Name: 1-[3-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl]ethanone IUPAC Name: 1-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl]ethanone Traditional Name: 1-[3-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxyphenyl]ethanone Formula: C24H23N5O6 MolecularWeight: 477.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N5O6/c1-16(30)18-3-2-4-19(12-18)35-24-22(29(31)32)23(25-14-26-24)28-9-7-27(8-10-28)13-17-5-6-20-21(11-17)34-15-33-20/h2-6,11-12,14H,7-10,13,15H2,1H3