(1-methyl-4-nitro-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-methyl-4-nitro-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-methyl-4-nitro-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (1-methyl-4-nitro-3-pyrazolyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-methyl-4-nitropyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-methyl-4-nitro-pyrazol-3-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O3/c1-17-9-10(20(22)23)11(16-17)12(21)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9H,5-8H2,1H3