2-[4-(4-nitrophenyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O3/c28-19(25-12-14-26(15-13-25)20-21-6-1-7-22-20)16-23-8-10-24(11-9-23)17-2-4-18(5-3-17)27(29)30/h1-7H,8-16H2