2-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-nitrophenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c27-20(13-16-3-5-17(6-4-16)26(28)29)25-11-9-24(10-12-25)19-14-18(21-15-22-19)23-7-1-2-8-23/h3-6,14-15H,1-2,7-13H2