(3-nitrophenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3-nitrophenyl)-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (3-nitrophenyl)-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-nitrophenyl)-[4-(6-piperidinopyrimidin-4-yl)piperazino]methanone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c27-20(16-5-4-6-17(13-16)26(28)29)25-11-9-24(10-12-25)19-14-18(21-15-22-19)23-7-2-1-3-8-23/h4-6,13-15H,1-3,7-12H2