2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(3-methyl-4-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-methyl-4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C16H20N6O3/c1-13-15(22(24)25)11-21(18-13)12-16(23)20-7-5-19(6-8-20)10-14-3-2-4-17-9-14/h2-4,9,11H,5-8,10,12H2,1H3